Licoflavanone A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL506929 | |
| PubChem: | 5319000 | |
| IUPAC: | 7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C20H18O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-11,21-22H,4H2,1-2H3 | |
| Standard InChI Key: | HJGURBGBPIKRER-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1cc2c(=O)cc(oc2cc1O)c1ccc(cc1)O)C | |
Molecular propeties
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| AlogP: | 4.38 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 322.12 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |