2-(3,4-Dihydroxyphenyl)-5,6-Dihydroxy-7-Methoxychromen-4-One
Representations & DB's id
| ||
| ChEBI: | CHEBI:7947 | |
|---|---|---|
| ChEMBL: | CHEMBL476314 | |
| PubChem: | 31161 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3 | |
| Standard InChI Key: | QWUHUBDKQQPMQG-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc(cc(=O)c2c(c1O)O)c1ccc(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 2.29 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 316.06 | |
| Topological polar surface area: | 116 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|