5,7-Dihydroxy-2-(4-Methoxyphenyl)Chroman-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL485252 | |
| PubChem: | 5118250 | |
| IUPAC: | 5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3 | |
| Standard InChI Key: | HMUJXQRRKBLVOO-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O | |
Molecular propeties
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| AlogP: | 2.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 286.08 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.188 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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