Dihydroberberine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL11848 | |
| PubChem: | 10217 | |
| IUPAC: | 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene | |
| Standard InChI: | InChI=1S/C20H19NO4/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/h3-4,7-9H,5-6,10-11H2,1-2H3 | |
| Standard InChI Key: | FZAGOOYMTPGPGF-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)ccc2c1CN1CCc3c(C1=C2)cc1c(c3)OCO1 | |
Molecular propeties
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| AlogP: | 3.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 337.13 | |
| Topological polar surface area: | 40.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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