3',4',5,7-Tetrahydroxy-6-(3,3-Dimethylallyl)-Flavone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1915459 | |
| PubChem: | 14604081 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C20H18O6/c1-10(2)3-5-12-14(22)8-18-19(20(12)25)16(24)9-17(26-18)11-4-6-13(21)15(23)7-11/h3-4,6-9,21-23,25H,5H2,1-2H3 | |
| Standard InChI Key: | AFJYQKPCJLMHCC-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O)C | |
Molecular propeties
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| AlogP: | 3.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 354.11 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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