3,5,6,7,8,3',4'-Heptamethoxyflavone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL77993 | |
| PubChem: | 150893 | |
| IUPAC: | 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3 | |
| Standard InChI Key: | SSXJHQZOHUYEGD-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1OC)c1oc2c(OC)c(OC)c(c(c2c(=O)c1OC)OC)OC | |
Molecular propeties
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| AlogP: | 3.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 3 | |
| Molecular Weight: | 432.14 | |
| Topological polar surface area: | 90.9 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.318 | |
| Number of carbons: | 22 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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