Palmatine
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Basic Info
| FADB-China ID | C0389 |
| Substance Name | Palmatine |
| Substance Chinese Name | 黄藤素 |
| Molecular Name | Palmatine |
| Molecular Chinese Name | 黄藤素 |
| 2D Structure | |
| CAS Number | 3486-67-7 |
| PubChem CID | 19009 |
| Formula | C21H22NO4+ |
| IUPAC Name | 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium |
| InChI Key | QUCQEUCGKKTEBI-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1 |
| Canonical SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC |
| Isomeric SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC |
| CFM-ID 3.0 | URL Link |
| Related links | Processing |
| Addition Purposes | Reduce cost, Enhance health care function |
| Molecular Synonyms |
Palmatine
3486-67-7
Berbericinine
Burasaine
Palmatin
Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-
UNII-G50C034217
BRN 1555498
O,O-Dimethyldemethyleneberberine
7,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxyberbinium
|
| Data Uploader | Dachuan Zhang |
| Update Date | Jul 25, 2019 20:46 |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 352.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Complexity | 475 |
| Monoisotopic Mass | 352.15488319 |
| Exact Mass | 352.15488319 |
| XLogP | 3.7 |
| Formal Charge | 1 |
| Heavy Atom Count | 26 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Related Foods
| FADB-China ID | F0108 |
| Food Image |  |
| Food Name | Chinese herbal medicine |
| Food Chinese Name | 中药材 |
| Food Type | Processed food |
| References | Analysis of coptisine, berberine and palmatine in adulterated Chinese medicine by capillary electrophoresis-electrospray ion trap mass spectrometry |