Demethylxanthohumol
Representations & DB's id
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| ChEBI: | CHEBI:80489 | |
|---|---|---|
| ChEMBL: | CHEMBL466143 | |
| PubChem: | 6443339 | |
| IUPAC: | (E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+ | |
| Standard InChI Key: | FUSADYLVRMROPL-UXBLZVDNSA-N | |
| SMILES: | CC(=CCc1c(O)cc(c(c1O)C(=O)/C=C/c1ccc(cc1)O)O)C | |
Molecular propeties
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| AlogP: | 3.91 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 340.13 | |
| Topological polar surface area: | 98 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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