Glycyrrhizol B
Representations & DB's id
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| ChEBI: | CHEBI:65977 | |
|---|---|---|
| ChEMBL: | CHEMBL495062 | |
| PubChem: | 11609971 | |
| IUPAC: | 9-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5(10),6,8,14(19),15,20-octaen-7-ol | |
| Standard InChI: | InChI=1S/C21H18O5/c1-21(2)7-6-13-15(26-21)5-4-12-14-10-24-17-9-11(22)8-16(23-3)18(17)20(14)25-19(12)13/h4-9,22H,10H2,1-3H3 | |
| Standard InChI Key: | BKLGAGSBCOUJGV-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)cc2c1c1oc3c(c1CO2)ccc1c3C=CC(O1)(C)C | |
Molecular propeties
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| AlogP: | 4.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 350.12 | |
| Topological polar surface area: | 61.1 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.238 | |
| Number of carbons: | 21 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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