Xanthohumol H
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL470927 | |
| PubChem: | 23250007 | |
| IUPAC: | (E)-1-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C21H24O6/c1-21(2,26)11-10-15-17(24)12-18(27-3)19(20(15)25)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,12,22,24-26H,10-11H2,1-3H3/b9-6+ | |
| Standard InChI Key: | HGZMVLUPBGGJMI-RMKNXTFCSA-N | |
| SMILES: | COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)CCC(O)(C)C | |
Molecular propeties
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| AlogP: | 3.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 372.16 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.286 | |
| Number of carbons: | 21 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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