Dihydroxanthohumol
Representations & DB's id
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| ChEBI: | CHEBI:66332 | |
|---|---|---|
| ChEMBL: | CHEMBL510279 | |
| PubChem: | 10450920 | |
| IUPAC: | 1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one | |
| Standard InChI: | InChI=1S/C21H24O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-6,8-9,12,22,24-25H,7,10-11H2,1-3H3 | |
| Standard InChI Key: | SVTCZHIDEDUTBH-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c(c(c1C(=O)CCc1ccc(cc1)O)O)CC=C(C)C | |
Molecular propeties
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| AlogP: | 4.14 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 356.16 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.286 | |
| Number of carbons: | 21 | |