Hispaglabridin A
Representations & DB's id
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| ChEBI: | CHEBI:5730 | |
|---|---|---|
| ChEMBL: | CHEMBL464581 | |
| PubChem: | 442774 | |
| IUPAC: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1 | |
| Standard InChI Key: | HZHXMXSXYQCAIG-KRWDZBQOSA-N | |
| SMILES: | CC(=CCc1c(O)ccc(c1O)[C@@H]1COc2c(C1)ccc1c2C=CC(O1)(C)C)C | |
Molecular propeties
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| AlogP: | 5.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 392.2 | |
| Topological polar surface area: | 58.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.36 | |
| Number of carbons: | 25 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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