Licochalcone C
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL141207 | |
| PubChem: | 9840805 | |
| IUPAC: | (E)-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C21H22O4/c1-14(2)4-11-18-20(24)13-8-16(21(18)25-3)7-12-19(23)15-5-9-17(22)10-6-15/h4-10,12-13,22,24H,11H2,1-3H3/b12-7+ | |
| Standard InChI Key: | WBDNTJSRHDSPSR-KPKJPENVSA-N | |
| SMILES: | COc1c(/C=C/C(=O)c2ccc(cc2)O)ccc(c1CC=C(C)C)O | |
Molecular propeties
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| AlogP: | 4.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 338.15 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.19 | |
| Number of carbons: | 21 | |