Coptisine
Representations & DB's id
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| ChEBI: | CHEBI:67862 | |
|---|---|---|
| ChEMBL: | CHEMBL362071 | |
| PubChem: | 72322 | |
| IUPAC: | 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 | |
| Standard 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 | |
| Standard InChI Key: | XYHOBCMEDLZUMP-UHFFFAOYSA-N | |
| SMILES: | C1Oc2c(O1)cc1c(c2)CC[n+]2c1cc1ccc3c(c1c2)OCO3 | |
Molecular propeties
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| AlogP: | 2.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 6 | |
| Molecular Weight: | 320.09 | |
| Topological polar surface area: | 40.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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