(2R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-2,3-Dihydrochromen-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1975989 | |
| PubChem: | 373261 | |
| IUPAC: | (2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m1/s1 | |
| Standard InChI Key: | SBHXYTNGIZCORC-CYBMUJFWSA-N | |
| SMILES: | Oc1cc2O[C@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 2.22 | |
|---|---|---|
| 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. |
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