5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-7-Methoxychromen-4-One
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL483424 | |
| PubChem: | 5320496 | |
| IUPAC: | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-8,18-19H,1-2H3 | |
| Standard InChI Key: | UDBHJDTXPDRDNS-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)OC | |
Molecular propeties
| ||
| AlogP: | 2.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 314.08 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|