| Phytochemical Name : Sesaminol |
| PCNDIDS0086 |
| Pubchem CID : 94672 |
| Molecular formula: C20H18O7 |
| Canonical SMILES : C1C2C(COC2C3=CC4=C(C=C3O)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
Synonymes : Sesaminol|74061-79-3|(+)-sesaminol|Justisolin|(1S-(1alpha,3aalpha,4alpha,6aalpha))-6-(4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-1,3-benzodioxol-5-ol|6-[(1s,3ar,4s,6ar)-4-(1,3-benzodioxol-5-yl)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-ol|SCHEMBL12600772|DTXSID50995513|CHEBI:145778|6-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-ol|1,3-Benzodioxol-5-ol, 6-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3aalpha,4alpha,6aalpha))-|6-[4-(2H-1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.040 |
| Log Po/w (XLOGP3) : 2.320 |
| Log Po/w (WLOGP) : 2.280 |
| Log Po/w (MLOGP) : 1.450 |
| Log Po/w (SILICOS-IT) : 2.750 |
| Consensus Log Po/w : 2.370 |