Cirsiliol
Representations & DB's id
| ||
| ChEBI: | CHEBI:3719 | |
|---|---|---|
| ChEMBL: | CHEMBL72637 | |
| PubChem: | 160237 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3 | |
| Standard InChI Key: | IMEYGBIXGJLUIS-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 2.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 330.07 | |
| Topological polar surface area: | 105 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |