2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxychromen-4-One
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL183745 | |
| PubChem: | 5318214 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3 | |
| Standard InChI Key: | RRRSSAVLTCVNIQ-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 2.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 300.06 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|