3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)Chroman-4-One
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL398847 | |
| PubChem: | 662 | |
| IUPAC: | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H | |
| Standard InChI Key: | PADQINQHPQKXNL-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1O)O | |
Molecular propeties
| ||
| AlogP: | 1.48 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 288.06 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|