Xanthohumol D
Representations & DB's id
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| ChEBI: | CHEBI:66335 | |
|---|---|---|
| ChEMBL: | CHEMBL479500 | |
| PubChem: | 10317069 | |
| IUPAC: | (E)-1-[2,4-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C21H22O6/c1-12(2)17(24)10-15-18(25)11-19(27-3)20(21(15)26)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,11,17,22,24-26H,1,10H2,2-3H3/b9-6+ | |
| Standard InChI Key: | IIWLGOCXDBSFCM-RMKNXTFCSA-N | |
| SMILES: | COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)CC(C(=C)C)O | |
Molecular propeties
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| AlogP: | 3.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 370.14 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.19 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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