3,6-Dimethoxy Kaempferol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL351607 | |
| PubChem: | 5352032 | |
| IUPAC: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3 | |
| Standard InChI Key: | DDNPCXHBFYJXBJ-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)OC | |
Molecular propeties
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| 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 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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