| Phytochemical Name : (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one |
| PCNDIDOT0161 |
| Pubchem CID : 10685477 |
| Molecular formula: C18H18O4 |
| Canonical SMILES : C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O |
Synonymes : Enterolactone|78473-71-9|Enterolakton|(+/-)-enterolactone|(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one|DTXSID0048183|2(3H)-Furanone, dihydro-3,4-bis((3-hydroxyphenyl)methyl)-, trans-|(-)-Enterolactone|(3R,4R)-3,4-bis(3-hydroxybenzyl)dihydrofuran-2(3H)-one|trans-(+-)-2,3-bis(3'-hydroxybenzyl)-gamma-butyrolactone|SCHEMBL121287|CHEMBL471475|DTXCID6028157|Tox21_303555|AKOS040758557|NCGC00257338-01|CAS-78473-71-9|HY-108692|CS-0029984|Q3055376|(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]tetrahydrofuran-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.840 |
| Log Po/w (XLOGP3) : 3.320 |
| Log Po/w (WLOGP) : 2.670 |
| Log Po/w (MLOGP) : 2.540 |
| Log Po/w (SILICOS-IT) : 3.350 |
| Consensus Log Po/w : 2.740 |