Enterolactone
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL471475 | |
| PubChem: | 10685477 | |
| IUPAC: | (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one | |
| Standard InChI: | InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m0/s1 | |
| Standard InChI Key: | HVDGDHBAMCBBLR-WMLDXEAASA-N | |
| SMILES: | Oc1cccc(c1)C[C@H]1C(=O)OC[C@@H]1Cc1cccc(c1)O | |
Molecular propeties
| ||
| AlogP: | 2.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 298.12 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.278 | |
| Number of carbons: | 18 | |