(S)-5,7-Dihydroxy-8-Methyl-2-Phenylchroman-4-One
Representations & DB's id
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| ChEBI: | CHEBI:70663 | |
|---|---|---|
| ChEMBL: | CHEMBL1269161 | |
| PubChem: | 6453244 | |
| IUPAC: | (2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 | |
| Standard InChI Key: | QSRIZZQWNHKERT-AWEZNQCLSA-N | |
| SMILES: | Oc1cc(O)c2c(c1C)O[C@@H](CC2=O)c1ccccc1 | |
Molecular propeties
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| AlogP: | 3.11 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 270.09 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.188 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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