Sinensetin
Representations & DB's id
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| ChEBI: | CHEBI:9159 | |
|---|---|---|
| ChEMBL: | CHEMBL226507 | |
| PubChem: | 145659 | |
| IUPAC: | 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3 | |
| Standard InChI Key: | LKMNXYDUQXAUCZ-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC | |
Molecular propeties
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| AlogP: | 3.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 372.12 | |
| Topological polar surface area: | 72.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |