Xanthohumol B
Representations & DB's id
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| ChEBI: | CHEBI:66334 | |
|---|---|---|
| ChEMBL: | CHEMBL520430 | |
| PubChem: | 9799506 | |
| IUPAC: | (E)-1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C21H22O6/c1-21(2)18(24)10-14-16(27-21)11-17(26-3)19(20(14)25)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-25H,10H2,1-3H3/b9-6+ | |
| Standard InChI Key: | GUQGMEWOCKDLDE-RMKNXTFCSA-N | |
| SMILES: | COc1cc2OC(C)(C)C(Cc2c(c1C(=O)/C=C/c1ccc(cc1)O)O)O | |
Molecular propeties
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| AlogP: | 3.08 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 370.14 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.286 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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