3,5-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-6,7-Dimethoxychromen-4-One
Representations & DB's id
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| ChEBI: | CHEBI:75162 | |
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| ChEMBL: | CHEMBL77588 | |
| PubChem: | 5317287 | |
| IUPAC: | 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O8/c1-23-10-5-4-8(6-9(10)19)17-16(22)14(20)13-11(26-17)7-12(24-2)18(25-3)15(13)21/h4-7,19,21-22H,1-3H3 | |
| Standard InChI Key: | ZZEQOHMDRQUMMH-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc(c3ccc(c(c3)O)OC)c(c(=O)c2c(c1OC)O)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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