Coptisine
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Basic Info
| FADB-China ID | C0384 |
| Substance Name | Coptisine |
| Substance Chinese Name | 黄连碱 |
| Molecular Name | Coptisine |
| Molecular Chinese Name | 黄连碱 |
| 2D Structure | |
| CAS Number | 3486-66-6 |
| PubChem CID | 72322 |
| Formula | C19H14NO4+ |
| IUPAC Name | 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene |
| InChI Key | XYHOBCMEDLZUMP-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 |
| Canonical SMILES | C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 |
| Isomeric SMILES | C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 |
| CFM-ID 3.0 | URL Link |
| Related links | Processing |
| Addition Purposes | Reduce cost, Enhance health care function |
| Molecular Synonyms |
Coptisine
3486-66-6
Coptisine sulfate
Coptisin
UNII-0GCL71VN14
Bis[methylenedioxy]protoberberine
CHEBI:67862
0GCL71VN14
Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-
7,8,13,13a-Tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium
|
| Data Uploader | Dachuan Zhang |
| Update Date | Jul 25, 2019 20:46 |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 320.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 502 |
| Monoisotopic Mass | 320.09228293 |
| Exact Mass | 320.09228293 |
| XLogP | 3.5 |
| Formal Charge | 1 |
| Heavy Atom Count | 24 |
| 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 |