Pinocembrin
Representations & DB's id
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| ChEBI: | CHEBI:28157 | |
|---|---|---|
| ChEMBL: | CHEMBL399910 | |
| PubChem: | 68071 | |
| IUPAC: | (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 | |
| Standard InChI Key: | URFCJEUYXNAHFI-ZDUSSCGKSA-N | |
| SMILES: | Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1 | |
Molecular propeties
| ||
| AlogP: | 2.8 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 256.07 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |