2-(3,4-Dihydroxyphenyl)-5-Hydroxy-3,6,7,8-Tetramethoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL471084 | |
| PubChem: | 54799 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C19H18O9/c1-24-16-12(22)11-13(23)17(25-2)19(27-4)18(26-3)15(11)28-14(16)8-5-6-9(20)10(21)7-8/h5-7,20-21,23H,1-4H3 | |
| Standard InChI Key: | WQDGAXUSPJAKPY-UHFFFAOYSA-N | |
| SMILES: | COc1c(oc2c(c1=O)c(O)c(c(c2OC)OC)OC)c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 2.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 390.1 | |
| Topological polar surface area: | 124 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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