Berberine
Representations & DB's id
| ||
| ChEBI: | CHEBI:16118 | |
|---|---|---|
| ChEMBL: | CHEMBL295124 | |
| PubChem: | 2353 | |
| IUPAC: | 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene | |
| Standard InChI: | InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 | |
| Standard InChI Key: | YBHILYKTIRIUTE-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1 | |
Molecular propeties
| ||
| AlogP: | 3.1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 336.12 | |
| Topological polar surface area: | 40.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |