Pmf
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2074901 | |
| PubChem: | 493376 | |
| IUPAC: | 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3 | |
| Standard InChI Key: | GIKVSFNAEBQLGB-UHFFFAOYSA-N | |
| SMILES: | COc1cc(OC)c2c(c1)oc(cc2=O)c1cc(OC)c(c(c1)OC)OC | |
Molecular propeties
| ||
| 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 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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