2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-8-Methoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL476730 | |
| PubChem: | 5316843 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O7/c1-22-15-12(21)5-10(19)14-11(20)6-13(23-16(14)15)7-2-3-8(17)9(18)4-7/h2-6,17-19,21H,1H3 | |
| Standard InChI Key: | FPSMUVCMXQTXND-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O | |
Molecular propeties
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| AlogP: | 2.29 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 316.06 | |
| Topological polar surface area: | 116 | |
| 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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