Isolicoflavonol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL457679 | |
| PubChem: | 5318585 | |
| IUPAC: | 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one | |
| Standard InChI: | InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3 | |
| Standard InChI Key: | PGCKDCPTJAQQSQ-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O)C | |
Molecular propeties
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| AlogP: | 3.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 354.11 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |