5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-3,8-Dimethoxychromen-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1985918 | |
| PubChem: | 5386961 | |
| IUPAC: | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)15-18(25-3)14(22)13-10(20)7-11(21)16(24-2)17(13)26-15/h4-7,19-21H,1-3H3 | |
| Standard InChI Key: | XZGZRRSEIISPEP-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1O)c1oc2c(OC)c(O)cc(c2c(=O)c1OC)O | |
Molecular propeties
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| AlogP: | 2.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 360.08 | |
| Topological polar surface area: | 115 | |
| 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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