Glycyrrhisoflavone
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL491515 | |
| PubChem: | 5317764 | |
| IUPAC: | 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one | |
| Standard InChI: | InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 | |
| Standard InChI Key: | JOQWUUJQWPZLAT-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1cc(cc(c1O)O)c1coc2c(c1=O)c(O)cc(c2)O)C | |
Molecular propeties
| ||
| 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 | |