6-Hydroxy-5,7-Dimethoxy-2-(4-Methoxyphenyl)Chromen-4-One
Representations & DB's id
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| ChEBI: | CHEBI:79509 | |
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| ChEMBL: | CHEMBL77695 | |
| PubChem: | 243760 | |
| IUPAC: | 6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)17(20)18(16)23-3/h4-9,20H,1-3H3 | |
| Standard InChI Key: | XYHIVQHSXGOAQP-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2OC)O)OC | |
Molecular propeties
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| AlogP: | 3.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 328.09 | |
| Topological polar surface area: | 74.2 | |
| 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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