Xanthohumol C
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL479351 | |
| PubChem: | 10338075 | |
| IUPAC: | (E)-1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+ | |
| Standard InChI Key: | CVMUWVCGBFJJFI-RMKNXTFCSA-N | |
| SMILES: | COc1cc2OC(C)(C)C=Cc2c(c1C(=O)/C=C/c1ccc(cc1)O)O | |
Molecular propeties
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| AlogP: | 4.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 352.13 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.19 | |
| Number of carbons: | 21 | |