2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3,6,8-Trimethoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL307373 | |
| PubChem: | 5386962 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O9/c1-24-16-11(21)10-12(22)17(25-2)14(7-4-5-8(19)9(20)6-7)27-15(10)18(26-3)13(16)23/h4-6,19-21,23H,1-3H3 | |
| Standard InChI Key: | AOOSHVWNBJZOEH-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)c(OC)c2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC | |
Molecular propeties
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| AlogP: | 2.31 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 376.08 | |
| Topological polar surface area: | 135 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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