Glycyrrhizol A
Representations & DB's id
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| ChEBI: | CHEBI:65976 | |
|---|---|---|
| ChEMBL: | CHEMBL522282 | |
| PubChem: | 11546269 | |
| IUPAC: | 1-methoxy-2,8-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol | |
| Standard InChI: | InChI=1S/C26H28O5/c1-14(2)6-8-16-10-18-19-13-30-23-12-21(28)17(9-7-15(3)4)25(29-5)24(23)26(19)31-22(18)11-20(16)27/h6-7,10-12,27-28H,8-9,13H2,1-5H3 | |
| Standard InChI Key: | CBPFOSMNDISZLV-UHFFFAOYSA-N | |
| SMILES: | COc1c(CC=C(C)C)c(O)cc2c1c1oc3c(c1CO2)cc(c(c3)O)CC=C(C)C | |
Molecular propeties
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| AlogP: | 6.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 4 | |
| Molecular Weight: | 420.19 | |
| Topological polar surface area: | 72.1 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.308 | |
| Number of carbons: | 26 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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