2-(3,4-Dihydroxyphenyl)-5,7,8-Trihydroxy-3-Methoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1986223 | |
| PubChem: | 5386958 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O8/c1-23-16-13(22)11-9(19)5-10(20)12(21)15(11)24-14(16)6-2-3-7(17)8(18)4-6/h2-5,17-21H,1H3 | |
| Standard InChI Key: | WLHKPDQFOBROCS-UHFFFAOYSA-N | |
| SMILES: | COc1c(oc2c(c1=O)c(O)cc(c2O)O)c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 332.05 | |
| Topological polar surface area: | 137 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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