Plant food supplements
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Basic Info
| FADB-China ID | F0142 |
| Food Name | Plant food supplements |
| Chinese Name | 植物食品补充剂 |
| Picture |  |
| Food Group | 保健食品 |
| Food Type | Processed food |
| Update Date | Jul 17, 2019 10:15 |
Illegal Additives
| CFAD ID | C0461 |
| Substance | Anorexics |
| Molecule | Amfepramone |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C13H19NO |
| InChi Key | XXEPPPIWZFICOJ-UHFFFAOYSA-N |
| Isomeric SMILES | CCN(CC)C(C)C(=O)C1=CC=CC=C1 |
| Detection Method | HPLC-DAD;GC-MS |
| CFAD ID | C0462 |
| Substance | Anorexics |
| Molecule | Phentermine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C10H15N |
| InChi Key | DHHVAGZRUROJKS-UHFFFAOYSA-N |
| Isomeric SMILES | CC(C)(CC1=CC=CC=C1)N |
| Detection Method | LC-ESI-MS |
| CFAD ID | C0464 |
| Substance | Anorexics |
| Molecule | Rimonabant |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C22H21Cl3N4O |
| InChi Key | JZCPYUJPEARBJL-UHFFFAOYSA-N |
| Isomeric SMILES | CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl |
| Detection Method | LC-ESI-MS |
| CFAD ID | C0466 |
| Substance | Anorexics |
| Molecule | 2,4-dinitrophenol |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C6H4N2O5 |
| InChi Key | UFBJCMHMOXMLKC-UHFFFAOYSA-N |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O |
| Detection Method | LC-ESI-MS |
| CFAD ID | C0467 |
| Substance | Anorexics |
| Molecule | Fenfluramine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C12H16F3N |
| InChi Key | DBGIVFWFUFKIQN-UHFFFAOYSA-N |
| Isomeric SMILES | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F |
| Detection Method | LC-ESI-MS |
| CFAD ID | C0468 |
| Substance | Anorexics |
| Molecule | Sibutramine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C17H26ClN |
| InChi Key | UNAANXDKBXWMLN-UHFFFAOYSA-N |
| Isomeric SMILES | CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C |
| Detection Method | LC-ESI-MS |
| CFAD ID | C0470 |
| Substance | Anorexics |
| Molecule | N-Didesmethylsibutramine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C15H22ClN |
| InChi Key | WQSACWZKKZPCHN-UHFFFAOYSA-N |
| Isomeric SMILES | CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N |
| Detection Method | LC-ESI-MS |
| CFAD ID | C0472 |
| Substance | Anorexics |
| Molecule | N-mono-desmethylsibutramine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C18H22N2 |
| InChi Key | HCYAFALTSJYZDH-UHFFFAOYSA-N |
| Isomeric SMILES | CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31 |
| Detection Method | LC-ESI-MS |
| CFAD ID | C0473 |
| Substance | Anorexics |
| Molecule | Mazindol |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C16H13ClN2O |
| InChi Key | ZPXSCAKFGYXMGA-UHFFFAOYSA-N |
| Isomeric SMILES | C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O |
| Detection Method | UHPLC-DAD |
| CFAD ID | C0475 |
| Substance | Anorexics |
| Molecule | Lorcaserin |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C11H14ClN |
| InChi Key | XTTZERNUQAFMOF-QMMMGPOBSA-N |
| Isomeric SMILES | C[C@H]1CNCCC2=C1C=C(C=C2)Cl |
| Detection Method | LC-MS |
| CFAD ID | C0477 |
| Substance | Anorexics |
| Molecule | Rimonabant |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C22H21Cl3N4O |
| InChi Key | JZCPYUJPEARBJL-UHFFFAOYSA-N |
| Isomeric SMILES | CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl |
| Detection Method | HPLC-MS/MS |
| CFAD ID | C0478 |
| Substance | Anorexics |
| Molecule | Topiramate |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C12H21NO8S |
| InChi Key | KJADKKWYZYXHBB-XBWDGYHZSA-N |
| Isomeric SMILES | CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0479 |
| Substance | Anorexics |
| Molecule | Benfluorex |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C19H20F3NO2 |
| InChi Key | CJAVTWRYCDNHSM-UHFFFAOYSA-N |
| Isomeric SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2 |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0480 |
| Substance | Anorexics |
| Molecule | Phenmetrazine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C11H15NO |
| InChi Key | OOBHFESNSZDWIU-UHFFFAOYSA-N |
| Isomeric SMILES | CC1C(OCCN1)C2=CC=CC=C2 |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0482 |
| Substance | Anorexics |
| Molecule | Phendimetrazine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C12H17NO |
| InChi Key | MFOCDFTXLCYLKU-CMPLNLGQSA-N |
| Isomeric SMILES | C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2 |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0483 |
| Substance | Anorexics |
| Molecule | Mephentermine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C11H17N |
| InChi Key | RXQCGGRTAILOIN-UHFFFAOYSA-N |
| Isomeric SMILES | CC(C)(CC1=CC=CC=C1)NC |
| Detection Method | LC-HRMS |
| CFAD ID | C0484 |
| Substance | Antiobesity drug |
| Molecule | Orlistat |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C29H53NO5 |
| InChi Key | AHLBNYSZXLDEJQ-FWEHEUNISA-N |
| Isomeric SMILES | CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |
| Detection Method | LC-ESI-MS |
| CFAD ID | C0485 |
| Substance | Stimulants |
| Molecule | Amphetamine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C9H13N |
| InChi Key | KWTSXDURSIMDCE-UHFFFAOYSA-N |
| Isomeric SMILES | CC(CC1=CC=CC=C1)N |
| Detection Method | HPLC-ESI-MS/MS |
| CFAD ID | C0486 |
| Substance | Stimulants |
| Molecule | Caffeine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C8H10N4O2 |
| InChi Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Isomeric SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| Detection Method | HPLC-ESI-MS/MS |
| CFAD ID | C0487 |
| Substance | Stimulants |
| Molecule | Synephrine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C9H13NO2 |
| InChi Key | YRCWQPVGYLYSOX-UHFFFAOYSA-N |
| Isomeric SMILES | CNCC(C1=CC=C(C=C1)O)O |
| Detection Method | UHPLC-DAD |
| CFAD ID | C0488 |
| Substance | Stimulants |
| Molecule | Ephedrine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C10H15NO |
| InChi Key | KWGRBVOPPLSCSI-WPRPVWTQSA-N |
| Isomeric SMILES | C[C@@H]([C@@H](C1=CC=CC=C1)O)NC |
| Detection Method | UHPLC-DAD |
| CFAD ID | C0489 |
| Substance | Stimulants |
| Molecule | Pseudoephedrine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C10H15NO |
| InChi Key | KWGRBVOPPLSCSI-WCBMZHEXSA-N |
| Isomeric SMILES | C[C@@H]([C@H](C1=CC=CC=C1)O)NC |
| Detection Method | UHPLC-DAD |
| CFAD ID | C0491 |
| Substance | Stimulants |
| Molecule | Phendimetrazine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C12H17NO |
| InChi Key | MFOCDFTXLCYLKU-CMPLNLGQSA-N |
| Isomeric SMILES | C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2 |
| Detection Method | LC-MS/MS |
| CFAD ID | C0492 |
| Substance | Stimulants |
| Molecule | Norpseudoephedrine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C9H13NO |
| InChi Key | DLNKOYKMWOXYQA-IONNQARKSA-N |
| Isomeric SMILES | C[C@@H]([C@H](C1=CC=CC=C1)O)N |
| Detection Method | LC-MS/MS |
| CFAD ID | C0494 |
| Substance | Stimulants |
| Molecule | Amphetamine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C9H13N |
| InChi Key | KWTSXDURSIMDCE-UHFFFAOYSA-N |
| Isomeric SMILES | CC(CC1=CC=CC=C1)N |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0495 |
| Substance | Stimulants |
| Molecule | Evodiamine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C19H17N3O |
| InChi Key | TXDUTHBFYKGSAH-SFHVURJKSA-N |
| Isomeric SMILES | CN1[C@@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3 |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0498 |
| Substance | Stimulants |
| Molecule | Β-methylphenethylamine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C9H13N |
| InChi Key | AXORVIZLPOGIRG-MRVPVSSYSA-N |
| Isomeric SMILES | C[C@H](CN)C1=CC=CC=C1 |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0499 |
| Substance | Stimulants |
| Molecule | 1,3-dimethylamylamine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C7H17N |
| InChi Key | YAHRDLICUYEDAU-UHFFFAOYSA-N |
| Isomeric SMILES | CCC(C)CC(C)N |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0501 |
| Substance | Stimulants |
| Molecule | Norephedrine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C9H13NO |
| InChi Key | DLNKOYKMWOXYQA-VXNVDRBHSA-N |
| Isomeric SMILES | C[C@H]([C@H](C1=CC=CC=C1)O)N |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0502 |
| Substance | Stimulants |
| Molecule | Methamphetamine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C10H15N |
| InChi Key | MYWUZJCMWCOHBA-VIFPVBQESA-N |
| Isomeric SMILES | C[C@@H](CC1=CC=CC=C1)NC |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0503 |
| Substance | Stimulants |
| Molecule | Cathine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C9H13NO |
| InChi Key | DLNKOYKMWOXYQA-IONNQARKSA-N |
| Isomeric SMILES | C[C@@H]([C@H](C1=CC=CC=C1)O)N |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0531 |
| Substance | Laxative |
| Molecule | Bisacodyl |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C22H19NO4 |
| InChi Key | KHOITXIGCFIULA-UHFFFAOYSA-N |
| Isomeric SMILES | CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3 |
| Detection Method | LC-MS/MS |
| CFAD ID | C0532 |
| Substance | Laxative |
| Molecule | Phenolphthalein |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C20H14O4 |
| InChi Key | KJFMBFZCATUALV-UHFFFAOYSA-N |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O |
| Detection Method | LC-MS/MS |
| CFAD ID | C0533 |
| Substance | Laxative |
| Molecule | Sennosides |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C42H38O20 |
| InChi Key | IPQVTOJGNYVQEO-JLDSCGAUSA-N |
| Isomeric SMILES | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| Detection Method | LC-MS/MS |
| CFAD ID | C0534 |
| Substance | Laxative |
| Molecule | Rhein |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C15H8O6 |
| InChi Key | FCDLCPWAQCPTKC-UHFFFAOYSA-N |
| Isomeric SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O |
| Detection Method | HPLC-ESI-MS |
| CFAD ID | C0535 |
| Substance | Laxative |
| Molecule | Emodin |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C15H10O5 |
| InChi Key | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| Isomeric SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
| Detection Method | HPLC-ESI-MS |
| CFAD ID | C0536 |
| Substance | Laxative |
| Molecule | Chrysophanol |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C15H10O4 |
| InChi Key | LQGUBLBATBMXHT-UHFFFAOYSA-N |
| Isomeric SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
| Detection Method | HPLC-ESI-MS |
| CFAD ID | C0537 |
| Substance | Diuretics |
| Molecule | Althiazide |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C11H14ClN3O4S3 |
| InChi Key | VGLGVJVUHYTIIU-UHFFFAOYSA-N |
| Isomeric SMILES | C=CCSCC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl |
| Detection Method | UHPLC-DAD |
| CFAD ID | C0538 |
| Substance | Diuretics |
| Molecule | Bumetanide |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C17H20N2O5S |
| InChi Key | MAEIEVLCKWDQJH-UHFFFAOYSA-N |
| Isomeric SMILES | CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 |
| Detection Method | UHPLC-DAD |
| CFAD ID | C0539 |
| Substance | Diuretics |
| Molecule | Furosemide |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C12H11ClN2O5S |
| InChi Key | ZZUFCTLCJUWOSV-UHFFFAOYSA-N |
| Isomeric SMILES | C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl |
| Detection Method | UHPLC-MS |
| CFAD ID | C0540 |
| Substance | Diuretics |
| Molecule | Spironolactone |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C24H32O4S |
| InChi Key | LXMSZDCAJNLERA-ZHYRCANASA-N |
| Isomeric SMILES | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C |
| Detection Method | UHPLC-DAD |
| CFAD ID | C0541 |
| Substance | Diuretics |
| Molecule | Triamterene |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C12H11N7 |
| InChi Key | FNYLWPVRPXGIIP-UHFFFAOYSA-N |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N |
| Detection Method | UHPLC-DAD |
| CFAD ID | C0542 |
| Substance | Diuretics |
| Molecule | Clopamide |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C14H20ClN3O3S |
| InChi Key | LBXHRAWDUMTPSE-AOOOYVTPSA-N |
| Isomeric SMILES | C[C@@H]1CCC[C@@H](N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C |
| Detection Method | HPLC-ESI-MS |
| CFAD ID | C0543 |
| Substance | Diuretics |
| Molecule | Hydroflumethiazide |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C8H8F3N3O4S2 |
| InChi Key | DMDGGSIALPNSEE-UHFFFAOYSA-N |
| Isomeric SMILES | C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1 |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0544 |
| Substance | Diuretics |
| Molecule | Bumetanide |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C17H20N2O5S |
| InChi Key | MAEIEVLCKWDQJH-UHFFFAOYSA-N |
| Isomeric SMILES | CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0546 |
| Substance | Diuretics |
| Molecule | Hydrochlorothiazide |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C7H8ClN3O4S2 |
| InChi Key | JZUFKLXOESDKRF-UHFFFAOYSA-N |
| Isomeric SMILES | C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0547 |
| Substance | Diuretics |
| Molecule | Indapamide |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C16H16ClN3O3S |
| InChi Key | NDDAHWYSQHTHNT-UHFFFAOYSA-N |
| Isomeric SMILES | CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0548 |
| Substance | Diuretics |
| Molecule | Methyclothiazide |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C9H11Cl2N3O4S2 |
| InChi Key | CESYKOGBSMNBPD-UHFFFAOYSA-N |
| Isomeric SMILES | CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0549 |
| Substance | Diuretics |
| Molecule | Metolazone |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C16H16ClN3O3S |
| InChi Key | AQCHWTWZEMGIFD-UHFFFAOYSA-N |
| Isomeric SMILES | CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0550 |
| Substance | Antidepressant |
| Molecule | Fluoxetine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C17H18F3NO |
| InChi Key | RTHCYVBBDHJXIQ-UHFFFAOYSA-N |
| Isomeric SMILES | CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F |
| Detection Method | LC-MS/MS |
| CFAD ID | C0551 |
| Substance | Antidepressant |
| Molecule | Paroxetine |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C19H20FNO3 |
| InChi Key | AHOUBRCZNHFOSL-YOEHRIQHSA-N |
| Isomeric SMILES | C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4 |
| Detection Method | LC-MS/MS |
| CFAD ID | C0552 |
| Substance | Antidepressant |
| Molecule | Sertraline |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C17H17Cl2N |
| InChi Key | VGKDLMBJGBXTGI-SJCJKPOMSA-N |
| Isomeric SMILES | CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl |
| Detection Method | LC-MS/MS |
| CFAD ID | C0553 |
| Substance | Antidepressant |
| Molecule | Bupropion |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C13H18ClNO |
| InChi Key | SNPPWIUOZRMYNY-UHFFFAOYSA-N |
| Isomeric SMILES | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C |
| Detection Method | LC-MS/MS |
| CFAD ID | C0554 |
| Substance | Anxiolytic |
| Molecule | Diazepam |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C16H13ClN2O |
| InChi Key | AAOVKJBEBIDNHE-UHFFFAOYSA-N |
| Isomeric SMILES | CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 |
| Detection Method | UHPLC-Q-orbitrap MS |
| CFAD ID | C0555 |
| Substance | Stimulants |
| Molecule | Methandienone |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C20H28O2 |
| InChi Key | XWALNWXLMVGSFR-HLXURNFRSA-N |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C=C[C@]34C |
| Detection Method | LC-MS/MS |
| CFAD ID | C0556 |
| Substance | Anabolic agents |
| Molecule | Clenbuterol |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C12H18Cl2N2O |
| InChi Key | STJMRWALKKWQGH-UHFFFAOYSA-N |
| Isomeric SMILES | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O |
| Detection Method | LC-MS/MS |
| CFAD ID | C0557 |
| Substance | Anabolic agents |
| Molecule | Tibolone |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C21H28O2 |
| InChi Key | WZDGZWOAQTVYBX-XOINTXKNSA-N |
| Isomeric SMILES | C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O |
| Detection Method | LC-MS/MS |
| CFAD ID | C0558 |
| Substance | Anabolic agents |
| Molecule | Zeranol |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C18H26O5 |
| InChi Key | DWTTZBARDOXEAM-GXTWGEPZSA-N |
| Isomeric SMILES | C[C@H]1CCC[C@@H](CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O |
| Detection Method | LC-MS/MS |
| CFAD ID | C0559 |
| Substance | Anabolic agents |
| Molecule | Zilpaterol |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C14H19N3O2 |
| InChi Key | ZSTCZWJCLIRCOJ-DGCLKSJQSA-N |
| Isomeric SMILES | CC(C)N[C@@H]1CCN2C3=C([C@H]1O)C=CC=C3NC2=O |
| Detection Method | LC-MS/MS |
| CFAD ID | C0560 |
| Substance | Steroids |
| Molecule | Prostanozol |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C25H38N2O2 |
| InChi Key | AGJAMJZFPDQSEW-KOTDIDPQSA-N |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4CCCCO4)CC[C@@H]5[C@@]3(CC6=C(C5)NN=C6)C |
| Detection Method | GC × GC-TOF MS |
| CFAD ID | C0561 |
| Substance | Steroids |
| Molecule | Methasterone |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C21H34O2 |
| InChi Key | QCWCXSMWLJFBNM-FOVYBZIDSA-N |
| Isomeric SMILES | C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)CC1=O)C |
| Detection Method | GC × GC-TOF MS |
| CFAD ID | C0562 |
| Substance | Steroids |
| Molecule | Androstadienedione |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C19H24O2 |
| InChi Key | LUJVUUWNAPIQQI-QAGGRKNESA-N |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C |
| Detection Method | GC × GC-TOF MS |
| CFAD ID | C0563 |
| Substance | Anabolic steroids |
| Molecule | Androstenedione |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C19H26O2 |
| InChi Key | AEMFNILZOJDQLW-QAGGRKNESA-N |
| Isomeric SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C |
| Detection Method | GC × GC-TOF MS |
| CFAD ID | C0564 |
| Substance | Anabolic steroids |
| Molecule | Dehydroepiandrosterone |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C19H28O2 |
| InChi Key | FMGSKLZLMKYGDP-USOAJAOKSA-N |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C |
| Detection Method | GC × GC-TOF MS |
| CFAD ID | C0565 |
| Substance | Anabolic steroids |
| Molecule | Methandienone |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C20H28O2 |
| InChi Key | XWALNWXLMVGSFR-HLXURNFRSA-N |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C=C[C@]34C |
| Detection Method | GC × GC-TOF MS |
| CFAD ID | C0566 |
| Substance | Anabolic steroids |
| Molecule | Testosterone esters |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C19H28O2 |
| InChi Key | MUMGGOZAMZWBJJ-DYKIIFRCSA-N |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C |
| Detection Method | GC × GC-TOF MS |
| CFAD ID | C0567 |
| Substance | Anabolic steroids |
| Molecule | 4-Androstene-3,17-diol |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C19H30O2 |
| InChi Key | BTTWKVFKBPAFDK-WJWLXVOASA-N |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2O)CCC4=CC(CC[C@]34C)O |
| Detection Method | GC × GC-TOF MS |
| CFAD ID | C0568 |
| Substance | Anabolic steroids |
| Molecule | Boldenone |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C19H26O2 |
| InChi Key | RSIHSRDYCUFFLA-DYKIIFRCSA-N |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C |
| Detection Method | GC × GC-TOF MS |
| CFAD ID | C0569 |
| Substance | PDE-5 inhibitors drugs |
| Molecule | Sildenafil citrate |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C28H38N6O11S |
| InChi Key | DEIYFTQMQPDXOT-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Detection Method | LC-ESI-MS; LC-UV |
| CFAD ID | C0570 |
| Substance | PDE-5 inhibitors drugs |
| Molecule | Tadalafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C22H19N3O4 |
| InChi Key | WOXKDUGGOYFFRN-IIBYNOLFSA-N |
| Isomeric SMILES | CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 |
| Detection Method | LC-ESI-MS; LC-UV |
| CFAD ID | C0571 |
| Substance | PDE-5 inhibitors drugs |
| Molecule | Vardenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C23H32N6O4S |
| InChi Key | SECKRCOLJRRGGV-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C |
| Detection Method | LC-ESI-MS; LC-UV |
| CFAD ID | C0572 |
| Substance | PDE-5 inhibitors drugs |
| Molecule | Udenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C25H36N6O4S |
| InChi Key | IYFNEFQTYQPVOC-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCC)C |
| Detection Method | LC-ESI-MS; LC-UV |
| CFAD ID | C0573 |
| Substance | PDE-5 inhibitors drugs |
| Molecule | Mirodenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C26H37N5O5S |
| InChi Key | MIJFNYMSCFYZNY-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=CN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)CC |
| Detection Method | LC-ESI-MS; LC-UV |
| CFAD ID | C0574 |
| Substance | PDE-5 inhibitors drugs |
| Molecule | Lodenafil carbonate |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C47H62N12O11S2 |
| InChi Key | MVYUCRDXZXLFSB-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCOC(=O)OCCN5CCN(CC5)S(=O)(=O)C6=CC(=C(C=C6)OCC)C7=NC8=C(C(=O)N7)N(N=C8CCC)C)OCC)C |
| Detection Method | LC-ESI-MS; LC-UV |
| CFAD ID | C0575 |
| Substance | PDE-5 inhibitors drugs |
| Molecule | Avanafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C23H26ClN7O3 |
| InChi Key | WEAJZXNPAWBCOA-INIZCTEOSA-N |
| Isomeric SMILES | COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl |
| Detection Method | LC-ESI-MS; LC-UV |
| CFAD ID | C0576 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Sildenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C22H30N6O4S |
| InChi Key | BNRNXUUZRGQAQC-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0577 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Tadalafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C22H19N3O4 |
| InChi Key | WOXKDUGGOYFFRN-IIBYNOLFSA-N |
| Isomeric SMILES | CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0578 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Sulfoaildenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C23H32N6O3S2 |
| InChi Key | SCLUKEPFXXPARW-GASCZTMLSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4C[C@H](N[C@H](C4)C)C)OCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0579 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Aminotadalafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C21H18N4O4 |
| InChi Key | VUKJGAVIWMPOOJ-FOIQADDNSA-N |
| Isomeric SMILES | C1[C@@H]2C(=O)N(CC(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)N |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0580 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Hydroxythiohomosildenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C23H32N6O4S2 |
| InChi Key | XZVSAQIQEGFWQS-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0581 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Dimethylsildenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C23H32N6O4S |
| InChi Key | NFSWSZIPXJAYLR-GASCZTMLSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4C[C@H](N[C@H](C4)C)C)OCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0582 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Sulfohydroxyhomosildenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C23H32N6O4S2 |
| InChi Key | XZVSAQIQEGFWQS-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0583 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Dimethylacetildenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C25H34N6O3 |
| InChi Key | YMCRGTBWSIWENP-IYBDPMFKSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4C[C@H](N[C@H](C4)C)C)OCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0584 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Noracetildenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C24H32N6O3 |
| InChi Key | BEAXWKCHSPVXQB-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)C)OCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0585 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Desmethyl carbodenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C23H30N6O3 |
| InChi Key | RIFGMSHSTNMHMS-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C)OCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0586 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Sulfosildenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C22H30N6O3S2 |
| InChi Key | LJUBVCQVNMLSTQ-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0587 |
| Substance | PDE-5 inhibitors or its analogs |
| Molecule | Propoxyphenyl sildenafil |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C23H32N6O4S |
| InChi Key | KTHQLYOWYJTHOD-UHFFFAOYSA-N |
| Isomeric SMILES | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC)C |
| Detection Method | HPLC-DAD-ESI-MS |
| CFAD ID | C0588 |
| Substance | Botanicals |
| Molecule | Methyleugenol |
| Involved Links | Processing |
| Structure | |
| Purpose of Addition | Enhance health care function |
| Formula | C11H14O2 |
| InChi Key | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| Isomeric SMILES | COC1=C(C=C(C=C1)CC=C)OC |
| Detection Method | GC-MS |
Predicted Illegal Additives
| ID | P2479 |
| Name | Ethcathinone (EC) |
| Structure | |
| Source | FRCD |
| Basis of prediction | Amfepramone |
| PubChem Link | Link |
| ID | P2480 |
| Name | Metamfepramone |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Amfepramone |
| PubChem Link | Link |
| ID | P2482 |
| Name | Mephentermine |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Phentermine |
| PubChem Link | Link |
| ID | P2483 |
| Name | Amphetamine |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB |
| Basis of prediction | Phentermine |
| PubChem Link | Link |
| ID | P2484 |
| Name | Dextroamphetamine |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB |
| Basis of prediction | Phentermine |
| PubChem Link | Link |
| ID | P2485 |
| Name | AMPHETAMINE |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB |
| Basis of prediction | Phentermine |
| PubChem Link | Link |
| ID | P2486 |
| Name | Mephentermine hemisulfate |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Phentermine |
| PubChem Link | Link |
| ID | P2488 |
| Name | Chlorphentermine |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Phentermine |
| PubChem Link | Link |
| ID | P2489 |
| Name | Clortermine |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Phentermine |
| PubChem Link | Link |
| ID | P2481 |
| Name | Dextroamphetamine |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB |
| Basis of prediction | Phentermine |
| PubChem Link | Link |
| ID | P2487 |
| Name | Isobutylbenzene |
| Structure | |
| Source | DrugBank, HPV EPA Chemicals, ToxCast & Tox21 Chemicals |
| Basis of prediction | Phentermine |
| PubChem Link | Link |
| ID | P0121 |
| Name | AM251 |
| Structure | |
| Source | ToxinDB |
| Basis of prediction | Rimonabant |
| PubChem Link | Link |
| ID | P2490 |
| Name | Surinabant |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Rimonabant |
| PubChem Link | Link |
| ID | P2519 |
| Name | 2-Chloro-1,3-dinitrobenzene |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2518 |
| Name | 2,4-Dinitroanisole |
| Structure | |
| Source | HPV EPA Chemicals, ToxCast & Tox21 Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2491 |
| Name | 2,4,6-Trinitrophenol |
| Structure | |
| Source | DrugBank, HPV EPA Chemicals, OECD HPV Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2492 |
| Name | Lead Styphnate |
| Structure | |
| Source | HPV EPA Chemicals, T3DB |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2493 |
| Name | Lead styphnate |
| Structure | |
| Source | HPV EPA Chemicals, T3DB |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2494 |
| Name | Picric acid |
| Structure | |
| Source | DrugBank, HPV EPA Chemicals, OECD HPV Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2495 |
| Name | 2,6-Dinitrophenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2496 |
| Name | 1,3-Benzenediol, 2,4,6-trinitro-, magnesium salt (1:1) |
| Structure | |
| Source | HPV EPA Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2497 |
| Name | 2-Amino-4,6-dinitrophenol |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2499 |
| Name | 2,4,6-Trinitroresorcinol |
| Structure | |
| Source | HPV EPA Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2500 |
| Name | 4-Amino-2-nitrophenol |
| Structure | |
| Source | ToxCast & Tox21 Chemicals, IARC Carcinogens Group 3 |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2501 |
| Name | Dinitrophenylene |
| Structure | |
| Source | DrugBank, HPV EPA Chemicals, ToxCast & Tox21 Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2502 |
| Name | 3,5-Dinitrocatechol |
| Structure | |
| Source | DrugBank, T3DB |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2503 |
| Name | 3,5-dinitrocatechol |
| Structure | |
| Source | DrugBank, T3DB |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2504 |
| Name | 4,6-Dinitro-O-Cresol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2505 |
| Name | 2,6-Dinitrotoluene |
| Structure | |
| Source | HPV EPA Chemicals, IARC Carcinogens Group 2B, National Health Commission of the People's Republic of China, T3DB, ToxCast & Tox21 Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2506 |
| Name | 1-chloro-2,4-dinitrobenzene |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2507 |
| Name | 2,4-Dinitrotoluene |
| Structure | |
| Source | ToxCast & Tox21 Chemicals, IARC Carcinogens Group 2B, National Health Commission of the People's Republic of China, ECHA Carcinogen, HPV EPA Chemicals, T3DB, OECD HPV Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2508 |
| Name | 4,6-Dinitro-o-cresol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2509 |
| Name | 1-Fluoro-2,4-dinitrobenzene |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2510 |
| Name | 3,5-Dinitrotoluene |
| Structure | |
| Source | IARC Carcinogens Group 3 |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2511 |
| Name | 3-methyl-2,4-dinitrophenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2512 |
| Name | 2-methyl-4,6-dinitrophenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2513 |
| Name | 5-methyl-2,4-dinitrophenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2514 |
| Name | 3,6-dimethyl-2,4-dinitrophenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2515 |
| Name | 3,5-dimethyl-2,4-dinitrophenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2516 |
| Name | 2,4-Dinitrochlorobenzene |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2517 |
| Name | 2,4-Dinitroaniline |
| Structure | |
| Source | HPV EPA Chemicals, ToxCast & Tox21 Chemicals, OSHA Hazardous Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2521 |
| Name | 3,5-dinitrophenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2522 |
| Name | 1,3-Dinitrobenzene |
| Structure | |
| Source | DrugBank, HPV EPA Chemicals, ToxCast & Tox21 Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2498 |
| Name | 2,4,6-trinitrophenol |
| Structure | |
| Source | DrugBank, HPV EPA Chemicals, OECD HPV Chemicals |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P2520 |
| Name | 2-Bromo-4,6-dinitrophenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 2,4-dinitrophenol |
| PubChem Link | Link |
| ID | P0122 |
| Name | Fenfluramine HCl |
| Structure | |
| Source | National Health Commission of the People's Republic of China, ToxCast & Tox21 Chemicals |
| Basis of prediction | Fenfluramine |
| PubChem Link | Link |
| ID | P0123 |
| Name | Dexfenfluramine hydrochloride |
| Structure | |
| Source | National Health Commission of the People's Republic of China, ToxCast & Tox21 Chemicals |
| Basis of prediction | Fenfluramine |
| PubChem Link | Link |
| ID | P0124 |
| Name | (-)-Fenfluramine hydrochloride |
| Structure | |
| Source | National Health Commission of the People's Republic of China, ToxCast & Tox21 Chemicals |
| Basis of prediction | Fenfluramine |
| PubChem Link | Link |
| ID | P2523 |
| Name | Norfenfluramine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Fenfluramine |
| PubChem Link | Link |
| ID | P0125 |
| Name | Sibutramine hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Sibutramine |
| PubChem Link | Link |
| ID | P2524 |
| Name | Sibutramine, Desmethyl |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sibutramine |
| PubChem Link | Link |
| ID | P2525 |
| Name | Sibutramine, Didesmethyl |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sibutramine |
| PubChem Link | Link |
| ID | P2526 |
| Name | Sibutramine |
| Structure | |
| Source | FRCD |
| Basis of prediction | N-Didesmethylsibutramine |
| PubChem Link | Link |
| ID | P2527 |
| Name | Sibutramine |
| Structure | |
| Source | FRCD |
| Basis of prediction | N-Didesmethylsibutramine |
| PubChem Link | Link |
| ID | P0126 |
| Name | Imipramine |
| Structure | |
| Source | FRCD |
| Basis of prediction | N-mono-desmethylsibutramine |
| PubChem Link | Link |
| ID | P0127 |
| Name | Desipramine hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | N-mono-desmethylsibutramine |
| PubChem Link | Link |
| ID | P2528 |
| Name | Trimipramine |
| Structure | |
| Source | DrugBank, , T3DB |
| Basis of prediction | N-mono-desmethylsibutramine |
| PubChem Link | Link |
| ID | P2529 |
| Name | Imipramine hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | N-mono-desmethylsibutramine |
| PubChem Link | Link |
| ID | P2530 |
| Name | Trimipramine maleate |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | N-mono-desmethylsibutramine |
| PubChem Link | Link |
| ID | P2531 |
| Name | Desmethylclomipramine |
| Structure | |
| Source | FRCD |
| Basis of prediction | N-mono-desmethylsibutramine |
| PubChem Link | Link |
| ID | P2532 |
| Name | Imipramine, oxide |
| Structure | |
| Source | FRCD |
| Basis of prediction | N-mono-desmethylsibutramine |
| PubChem Link | Link |
| ID | P2533 |
| Name | Clomipramine |
| Structure | |
| Source | FRCD |
| Basis of prediction | N-mono-desmethylsibutramine |
| PubChem Link | Link |
| ID | P2534 |
| Name | Clomipramine |
| Structure | |
| Source | FRCD |
| Basis of prediction | N-mono-desmethylsibutramine |
| PubChem Link | Link |
| ID | P0128 |
| Name | Benfluorex hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Benfluorex |
| PubChem Link | Link |
| ID | P2545 |
| Name | Phendimetrazine |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Phenmetrazine |
| PubChem Link | Link |
| ID | P2546 |
| Name | Phenmetrazine |
| Structure | |
| Source | DrugBank, , T3DB |
| Basis of prediction | Phendimetrazine |
| PubChem Link | Link |
| ID | P2547 |
| Name | Phentermine |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB |
| Basis of prediction | Mephentermine |
| PubChem Link | Link |
| ID | P2548 |
| Name | Methamphetamine |
| Structure | |
| Source | DrugBank, , National Health Commission of the People's Republic of China, T3DB |
| Basis of prediction | Mephentermine |
| PubChem Link | Link |
| ID | P2549 |
| Name | METHAMPHETAMINE |
| Structure | |
| Source | DrugBank, , National Health Commission of the People's Republic of China, T3DB |
| Basis of prediction | Mephentermine |
| PubChem Link | Link |
| ID | P2550 |
| Name | Phentermine |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB |
| Basis of prediction | Mephentermine |
| PubChem Link | Link |
| ID | P2551 |
| Name | Amphetamine, ethyl |
| Structure | |
| Source | FRCD |
| Basis of prediction | Mephentermine |
| PubChem Link | Link |
| ID | P2552 |
| Name | Dimetamfetamine |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Mephentermine |
| PubChem Link | Link |
| ID | P2553 |
| Name | S-(+)-Methamphetamine hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Mephentermine |
| PubChem Link | Link |
| ID | P2554 |
| Name | Dl-Methamphetamine hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Mephentermine |
| PubChem Link | Link |
| ID | P2555 |
| Name | (S)-(+)-N-Ethylamphetamine hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Mephentermine |
| PubChem Link | Link |
| ID | P2556 |
| Name | 1-Benzyl-(R)-Propylamine |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2558 |
| Name | Amphetasul |
| Structure | |
| Source | ToxinDB |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2559 |
| Name | Phenethylamine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2560 |
| Name | Cathine |
| Structure | |
| Source | DrugBank, , DEA Chemicals |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2561 |
| Name | Cathinone |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2562 |
| Name | Phenylpropanolamine |
| Structure | |
| Source | DrugBank, , DEA Chemicals |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2563 |
| Name | L-Phenylalaninol |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2564 |
| Name | 2-Phenylethylamine |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2565 |
| Name | PHENETHYLAMINE |
| Structure | |
| Source | FRCD |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2567 |
| Name | Cathine |
| Structure | |
| Source | DrugBank, , DEA Chemicals |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2568 |
| Name | 2-Fluoroamfetamine (2-FA) |
| Structure | |
| Source | FRCD |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2569 |
| Name | Amphetamine, hydroxy |
| Structure | |
| Source | FRCD |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2570 |
| Name | 4-Fluoroamfetamine (4-FA) |
| Structure | |
| Source | FRCD |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2571 |
| Name | N-Propylbenzene |
| Structure | |
| Source | HPV EPA Chemicals, ToxCast & Tox21 Chemicals |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2572 |
| Name | Gepefrine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2557 |
| Name | Phenaminum |
| Structure | |
| Source | ToxinDB |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2566 |
| Name | Norpseudoephedrine |
| Structure | |
| Source | DrugBank, , DEA Chemicals |
| Basis of prediction | Amphetamine |
| PubChem Link | Link |
| ID | P2573 |
| Name | Theobromine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2574 |
| Name | Theophylline |
| Structure | |
| Source | DrugBank, ToxinDB, OECD HPV Chemicals, ToxCast & Tox21 Chemicals, IARC Carcinogens Group 3 |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2575 |
| Name | Oxtriphylline |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2576 |
| Name | Aminophylline |
| Structure | |
| Source | DrugBank, ToxinDB |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2577 |
| Name | Aminophylline |
| Structure | |
| Source | DrugBank, ToxinDB |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2578 |
| Name | Theophylline |
| Structure | |
| Source | T3DB |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2579 |
| Name | Proxyphylline |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2580 |
| Name | THEOBROMINE |
| Structure | |
| Source | FRCD |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2581 |
| Name | Isbufylline |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2582 |
| Name | Acephylline |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2583 |
| Name | Etofylline |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2584 |
| Name | Etamiphyllin |
| Structure | |
| Source | FRCD |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2585 |
| Name | 1-Methylxanthine |
| Structure | |
| Source | ToxinDB |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2586 |
| Name | 7-Methylxanthine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2587 |
| Name | 3-Methylxanthine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2588 |
| Name | 1,7-Dimethylxanthine |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2589 |
| Name | 8-chlorotheophylline |
| Structure | |
| Source | FRCD |
| Basis of prediction | Caffeine |
| PubChem Link | Link |
| ID | P2602 |
| Name | Bamethan |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Synephrine |
| PubChem Link | Link |
| ID | P0129 |
| Name | Ephedrine sulphate |
| Structure | |
| Source | National Health Commission of the People's Republic of China, OpenFoodTox |
| Basis of prediction | Ephedrine |
| PubChem Link | Link |
| ID | P0130 |
| Name | Ephedrine hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Ephedrine |
| PubChem Link | Link |
| ID | P2603 |
| Name | Methylephedrine |
| Structure | |
| Source | DEA Chemicals, ToxCast & Tox21 Chemicals |
| Basis of prediction | Ephedrine |
| PubChem Link | Link |
| ID | P2604 |
| Name | Phenylpropanolamine hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Ephedrine |
| PubChem Link | Link |
| ID | P2605 |
| Name | N-Methylephedrine |
| Structure | |
| Source | DEA Chemicals, ToxCast & Tox21 Chemicals |
| Basis of prediction | Ephedrine |
| PubChem Link | Link |
| ID | P2606 |
| Name | Etafedrine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Ephedrine |
| PubChem Link | Link |
| ID | P2608 |
| Name | (+)-Pseudoephedrine |
| Structure | |
| Source | DrugBank, National Health Commission of the People's Republic of China, DEA Chemicals, T3DB, OpenFoodTox |
| Basis of prediction | Norpseudoephedrine |
| PubChem Link | Link |
| ID | P2609 |
| Name | Pseudoephedrine |
| Structure | |
| Source | DrugBank, National Health Commission of the People's Republic of China, DEA Chemicals, T3DB, OpenFoodTox |
| Basis of prediction | Norpseudoephedrine |
| PubChem Link | Link |
| ID | P2610 |
| Name | Ephedrine |
| Structure | |
| Source | DrugBank, National Health Commission of the People's Republic of China, DEA Chemicals, T3DB, OpenFoodTox |
| Basis of prediction | Norpseudoephedrine |
| PubChem Link | Link |
| ID | P2611 |
| Name | 1-Phenylpropan-1-ol |
| Structure | |
| Source | FRCD |
| Basis of prediction | Norpseudoephedrine |
| PubChem Link | Link |
| ID | P2612 |
| Name | Metaraminol |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Norpseudoephedrine |
| PubChem Link | Link |
| ID | P2613 |
| Name | 1-Phenyl-1-Propanol |
| Structure | |
| Source | FRCD |
| Basis of prediction | Norpseudoephedrine |
| PubChem Link | Link |
| ID | P2614 |
| Name | 1-PHENYL-1-PROPANOL |
| Structure | |
| Source | FRCD |
| Basis of prediction | Norpseudoephedrine |
| PubChem Link | Link |
| ID | P2607 |
| Name | (-)-Ephedrine |
| Structure | |
| Source | DrugBank, National Health Commission of the People's Republic of China, DEA Chemicals, T3DB, OpenFoodTox |
| Basis of prediction | Norpseudoephedrine |
| PubChem Link | Link |
| ID | P2620 |
| Name | Phenpromethamine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Β-methylphenethylamine |
| PubChem Link | Link |
| ID | P2621 |
| Name | Isopropylbenzene |
| Structure | |
| Source | ToxCast & Tox21 Chemicals, IARC Carcinogens Group 2B, FRCD, HPV EPA Chemicals, T3DB, OECD HPV Chemicals |
| Basis of prediction | Β-methylphenethylamine |
| PubChem Link | Link |
| ID | P2622 |
| Name | 3-Methylhexane |
| Structure | |
| Source | ToxinDB, T3DB, OpenFoodTox, ToxCast & Tox21 Chemicals |
| Basis of prediction | 1,3-dimethylamylamine |
| PubChem Link | Link |
| ID | P2623 |
| Name | Leucine - Reduced Carbonyl |
| Structure | |
| Source | DrugBank |
| Basis of prediction | 1,3-dimethylamylamine |
| PubChem Link | Link |
| ID | P2624 |
| Name | Formetorex |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Methamphetamine |
| PubChem Link | Link |
| ID | P2625 |
| Name | Monomethylpropion |
| Structure | |
| Source | FRCD |
| Basis of prediction | Methamphetamine |
| PubChem Link | Link |
| ID | P2626 |
| Name | Pholedrine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Methamphetamine |
| PubChem Link | Link |
| ID | P2684 |
| Name | Iodophthalein |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Phenolphthalein |
| PubChem Link | Link |
| ID | P2685 |
| Name | Tetrabromophenolphthalein |
| Structure | |
| Source | FRCD |
| Basis of prediction | Phenolphthalein |
| PubChem Link | Link |
| ID | P2687 |
| Name | Chrysophanic acid |
| Structure | |
| Source | ToxinDB, ToxCast & Tox21 Chemicals |
| Basis of prediction | Rhein |
| PubChem Link | Link |
| ID | P2688 |
| Name | Aloe-emodin |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Rhein |
| PubChem Link | Link |
| ID | P2689 |
| Name | Emodin |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB, OpenFoodTox, ToxCast & Tox21 Chemicals |
| Basis of prediction | Rhein |
| PubChem Link | Link |
| ID | P2690 |
| Name | Dantron |
| Structure | |
| Source | DrugBank, IARC Carcinogens Group 2B, ToxCast & Tox21 Chemicals |
| Basis of prediction | Rhein |
| PubChem Link | Link |
| ID | P2691 |
| Name | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB, OpenFoodTox, ToxCast & Tox21 Chemicals |
| Basis of prediction | Rhein |
| PubChem Link | Link |
| ID | P2686 |
| Name | Chrysophanol |
| Structure | |
| Source | ToxinDB, ToxCast & Tox21 Chemicals |
| Basis of prediction | Rhein |
| PubChem Link | Link |
| ID | P2692 |
| Name | Dantron (Chrysazin; 1,8-Dihydroxyanthraquinone) |
| Structure | |
| Source | DrugBank, IARC Carcinogens Group 2B, ToxCast & Tox21 Chemicals |
| Basis of prediction | Rhein |
| PubChem Link | Link |
| ID | P2693 |
| Name | Physcion |
| Structure | |
| Source | ToxinDB, OpenFoodTox |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2694 |
| Name | 1,2,5,8-tetrahydroxyanthracene-9,10-dione |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2695 |
| Name | PURPURIN |
| Structure | |
| Source | ToxinDB, ToxCast & Tox21 Chemicals |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2696 |
| Name | Alizarin |
| Structure | |
| Source | HPV EPA Chemicals, ToxinDB, ToxCast & Tox21 Chemicals |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2698 |
| Name | Purpurin |
| Structure | |
| Source | ToxinDB, ToxCast & Tox21 Chemicals |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2699 |
| Name | Quinalizarin |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2700 |
| Name | Dithranol |
| Structure | |
| Source | ToxCast & Tox21 Chemicals, IARC Carcinogens Group 3 |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2701 |
| Name | 2-Methylanthraquinone |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2702 |
| Name | Rhein |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2703 |
| Name | 1-Hydroxyanthraquinone |
| Structure | |
| Source | IARC Carcinogens Group 2B |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2697 |
| Name | 9,10-Anthracenedione, 1,2-dihydroxy- |
| Structure | |
| Source | HPV EPA Chemicals, ToxinDB, ToxCast & Tox21 Chemicals |
| Basis of prediction | Emodin |
| PubChem Link | Link |
| ID | P2704 |
| Name | Quinizarin |
| Structure | |
| Source | FRCD |
| Basis of prediction | Chrysophanol |
| PubChem Link | Link |
| ID | P2705 |
| Name | 1,4-Dihydroxy-9,10-anthracenedione |
| Structure | |
| Source | FRCD |
| Basis of prediction | Chrysophanol |
| PubChem Link | Link |
| ID | P2706 |
| Name | 1-Amino-2-methylanthraquinone |
| Structure | |
| Source | HPV EPA Chemicals, ToxCast & Tox21 Chemicals, IARC Carcinogens Group 3 |
| Basis of prediction | Chrysophanol |
| PubChem Link | Link |
| ID | P2707 |
| Name | 2-Ethylanthraquinone |
| Structure | |
| Source | HPV EPA Chemicals, OECD HPV Chemicals, ToxCast & Tox21 Chemicals |
| Basis of prediction | Chrysophanol |
| PubChem Link | Link |
| ID | P2708 |
| Name | Polythiazide |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Althiazide |
| PubChem Link | Link |
| ID | P2709 |
| Name | Ethiazide |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Althiazide |
| PubChem Link | Link |
| ID | P2631 |
| Name | Piretanide |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Bumetanide |
| PubChem Link | Link |
| ID | P2710 |
| Name | 3-oxopregn-4-ene-21,17a-carbolactone |
| Structure | |
| Source | FRCD |
| Basis of prediction | Spironolactone |
| PubChem Link | Link |
| ID | P2711 |
| Name | Methyclothiazide |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Hydrochlorothiazide |
| PubChem Link | Link |
| ID | P2712 |
| Name | Trichlormethiazide |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Hydrochlorothiazide |
| PubChem Link | Link |
| ID | P2713 |
| Name | 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Hydrochlorothiazide |
| PubChem Link | Link |
| ID | P2714 |
| Name | Hydrochlorothiazide |
| Structure | |
| Source | DrugBank, IARC Carcinogens Group 2B, National Health Commission of the People's Republic of China, T3DB, ToxCast & Tox21 Chemicals |
| Basis of prediction | Methyclothiazide |
| PubChem Link | Link |
| ID | P0146 |
| Name | Seproxetine |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Fluoxetine |
| PubChem Link | Link |
| ID | P0147 |
| Name | Fluoxetine hydrochloride |
| Structure | |
| Source | HPV EPA Chemicals, ToxCast & Tox21 Chemicals |
| Basis of prediction | Fluoxetine |
| PubChem Link | Link |
| ID | P0148 |
| Name | Norfluoxetin |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Fluoxetine |
| PubChem Link | Link |
| ID | P0149 |
| Name | Norfluoxetine hydrochlorid |
| Structure | |
| Source | FRCD |
| Basis of prediction | Fluoxetine |
| PubChem Link | Link |
| ID | P2715 |
| Name | (3S-trans)-5-[[4-(4-Fluorophenyl-3-piperidinyl]methoxy]-2-methoxyphenol (Paroxetin Metabolit) |
| Structure | |
| Source | FRCD |
| Basis of prediction | Paroxetine |
| PubChem Link | Link |
| ID | P0150 |
| Name | Sertraline hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Sertraline |
| PubChem Link | Link |
| ID | P2716 |
| Name | Desmethylsertraline |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sertraline |
| PubChem Link | Link |
| ID | P2717 |
| Name | (S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sertraline |
| PubChem Link | Link |
| ID | P0151 |
| Name | Bupropion hydrochloride |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Bupropion |
| PubChem Link | Link |
| ID | P2718 |
| Name | Rac-threo-Dihydrobupropion |
| Structure | |
| Source | FRCD |
| Basis of prediction | Bupropion |
| PubChem Link | Link |
| ID | P2719 |
| Name | Erythrohydrobupropion |
| Structure | |
| Source | FRCD |
| Basis of prediction | Bupropion |
| PubChem Link | Link |
| ID | P2720 |
| Name | Boldenone |
| Structure | |
| Source | DrugBank, ToxinDB |
| Basis of prediction | Methandienone |
| PubChem Link | Link |
| ID | P2721 |
| Name | Boldenone |
| Structure | |
| Source | DrugBank, ToxinDB |
| Basis of prediction | Methandienone |
| PubChem Link | Link |
| ID | P2722 |
| Name | Formebolone |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Methandienone |
| PubChem Link | Link |
| ID | P2723 |
| Name | ANDROSTA-1,4-DIENE-3,17-DIONE |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Methandienone |
| PubChem Link | Link |
| ID | P2724 |
| Name | Halodrol |
| Structure | |
| Source | ToxinDB |
| Basis of prediction | Methandienone |
| PubChem Link | Link |
| ID | P2725 |
| Name | Boldione |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Methandienone |
| PubChem Link | Link |
| ID | P2726 |
| Name | Norethynodrel |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Tibolone |
| PubChem Link | Link |
| ID | P1831 |
| Name | Zearalanone |
| Structure | |
| Source | National Health Commission of the People's Republic of China, OpenFoodTox |
| Basis of prediction | Zeranol |
| PubChem Link | Link |
| ID | P0063 |
| Name | Zilpaterol Hydrochloride |
| Structure | |
| Source | CAC Veterinary Drug, National Health Commission of the People's Republic of China |
| Basis of prediction | Zilpaterol |
| PubChem Link | Link |
| ID | P2727 |
| Name | 5-beta-DIHYDROTESTOSTERONE |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB, ToxCast & Tox21 Chemicals |
| Basis of prediction | Methasterone |
| PubChem Link | Link |
| ID | P2728 |
| Name | Drostanolone |
| Structure | |
| Source | DrugBank, T3DB |
| Basis of prediction | Methasterone |
| PubChem Link | Link |
| ID | P2729 |
| Name | Dihydrotestosterone |
| Structure | |
| Source | DrugBank, ToxinDB, T3DB, ToxCast & Tox21 Chemicals |
| Basis of prediction | Methasterone |
| PubChem Link | Link |
| ID | P2730 |
| Name | Mestanolone |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Methasterone |
| PubChem Link | Link |
| ID | P2731 |
| Name | Oxymetholone |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Methasterone |
| PubChem Link | Link |
| ID | P2732 |
| Name | Exemestane |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Androstadienedione |
| PubChem Link | Link |
| ID | P2733 |
| Name | Methandrostenolone |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Androstadienedione |
| PubChem Link | Link |
| ID | P2734 |
| Name | Nootkatone |
| Structure | |
| Source | FRCD |
| Basis of prediction | Androstenedione |
| PubChem Link | Link |
| ID | P2735 |
| Name | 19-norandrostenedione |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Androstenedione |
| PubChem Link | Link |
| ID | P2736 |
| Name | NOOTKATONE |
| Structure | |
| Source | FRCD |
| Basis of prediction | Androstenedione |
| PubChem Link | Link |
| ID | P2737 |
| Name | Formestane |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Androstenedione |
| PubChem Link | Link |
| ID | P2738 |
| Name | 11a-Hydroxy-estr-4-ene-3,17-dione |
| Structure | |
| Source | FRCD |
| Basis of prediction | Androstenedione |
| PubChem Link | Link |
| ID | P2739 |
| Name | Androst-4-ene-3,17-dione, 9-hydroxy- |
| Structure | |
| Source | FRCD |
| Basis of prediction | Androstenedione |
| PubChem Link | Link |
| ID | P2740 |
| Name | 4-Hydroxyandrostenedione |
| Structure | |
| Source | DrugBank, ToxCast & Tox21 Chemicals |
| Basis of prediction | Androstenedione |
| PubChem Link | Link |
| ID | P2741 |
| Name | Pregnenolone |
| Structure | |
| Source | DrugBank, ToxinDB |
| Basis of prediction | Dehydroepiandrosterone |
| PubChem Link | Link |
| ID | P2742 |
| Name | Pregnenolone |
| Structure | |
| Source | DrugBank, ToxinDB |
| Basis of prediction | Dehydroepiandrosterone |
| PubChem Link | Link |
| ID | P2743 |
| Name | Dehydroepiandrosterone acetate |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Dehydroepiandrosterone |
| PubChem Link | Link |
| ID | P2744 |
| Name | 5-Androstenediol |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Dehydroepiandrosterone |
| PubChem Link | Link |
| ID | P2745 |
| Name | Androst-5-en-17-one, 3,7,15-trihydroxy-, (3ß,7a,15a)- |
| Structure | |
| Source | FRCD |
| Basis of prediction | Dehydroepiandrosterone |
| PubChem Link | Link |
| ID | P2746 |
| Name | (3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL |
| Structure | |
| Source | DrugBank |
| Basis of prediction | 4-Androstene-3,17-diol |
| PubChem Link | Link |
| ID | P2747 |
| Name | Ethynodiol |
| Structure | |
| Source | FRCD |
| Basis of prediction | 4-Androstene-3,17-diol |
| PubChem Link | Link |
| ID | P0115 |
| Name | Pseudo vardenafil |
| Structure | |
| Source | FRCD |
| Basis of prediction | Vardenafil |
| PubChem Link | Link |
| ID | P2462 |
| Name | Vardenafil |
| Structure | |
| Source | DrugBank, National Health Commission of the People's Republic of China |
| Basis of prediction | Vardenafil |
| PubChem Link | Link |
| ID | P2463 |
| Name | Vardenafil |
| Structure | |
| Source | DrugBank, National Health Commission of the People's Republic of China |
| Basis of prediction | Vardenafil |
| PubChem Link | Link |
| ID | P0106 |
| Name | Homosildenafil |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P0107 |
| Name | Hydroxyhomo sildenafil |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P0108 |
| Name | Sildenafil, desmethyl |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P0109 |
| Name | Norneo sildenafil |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2416 |
| Name | Sildenafil |
| Structure | |
| Source | DrugBank, National Health Commission of the People's Republic of China |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2417 |
| Name | Udenafil |
| Structure | |
| Source | DrugBank |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2418 |
| Name | Sildenafil |
| Structure | |
| Source | DrugBank, National Health Commission of the People's Republic of China |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2420 |
| Name | Homosildenafil |
| Structure | |
| Source | National Health Commission of the People's Republic of China |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2421 |
| Name | UK-343664 |
| Structure | |
| Source | ToxCast & Tox21 Chemicals |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2422 |
| Name | Udenafil |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2423 |
| Name | Thioaildenafil |
| Structure | |
| Source | National Health Commission of the People's Republic of China |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2424 |
| Name | Thiosildenafil |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2425 |
| Name | Thiohomosildenafil |
| Structure | |
| Source | FRCD |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2419 |
| Name | Hydroxyhomosildenafil |
| Structure | |
| Source | National Health Commission of the People's Republic of China |
| Basis of prediction | Sildenafil |
| PubChem Link | Link |
| ID | P2748 |
| Name | Hongdenafil |
| Structure | |
| Source | National Health Commission of the People's Republic of China |
| Basis of prediction | Dimethylacetildenafil |
| PubChem Link | Link |
| ID | P2749 |
| Name | Gendenafil |
| Structure | |
| Source | FRCD |
| Basis of prediction | Dimethylacetildenafil |
| PubChem Link | Link |
| ID | P2750 |
| Name | Acetildenafil |
| Structure | |
| Source | FRCD |
| Basis of prediction | Dimethylacetildenafil |
| PubChem Link | Link |
| ID | P2751 |
| Name | Eugenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | Methyleugenol |
| PubChem Link | Link |
| ID | P2752 |
| Name | Safrole |
| Structure | |
| Source | FRCD |
| Basis of prediction | Methyleugenol |
| PubChem Link | Link |
| ID | P2753 |
| Name | 3,4-dimethoxyphenethylamine |
| Structure | |
| Source | FRCD |
| Basis of prediction | Methyleugenol |
| PubChem Link | Link |
| ID | P2754 |
| Name | Eugenyl acetate |
| Structure | |
| Source | FRCD |
| Basis of prediction | Methyleugenol |
| PubChem Link | Link |
| ID | P2755 |
| Name | Acetyleugenol |
| Structure | |
| Source | FRCD |
| Basis of prediction | Methyleugenol |
| PubChem Link | Link |