| Phytochemical Name : Sesamolin |
| PCNDIDS0088 |
| Pubchem CID : 101746 |
| Molecular formula: C20H18O7 |
| Canonical SMILES : C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
Synonymes : Sesamolin|526-07-8|(+)-sesamolin|UNII-7A90TJ149G|7A90TJ149G|AI3-20978|5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole|DTXSID90878472|(1S,3AR,4R,6AR)-5-(4-(1,3-BENZODIOXOL-5-YLOXY)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-1,3-BENZODIOXOLE|1,3-BENZODIOXOL-5-YL (1R,3AR,4S,6AR)-4-(1,3-BENZODIOXOL-5-YL)PERHYDROFURO(3,4-C)FURAN-1-YL ETHER|1,3-Benzodioxole, 5-(4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3a alpha,4alpha,6a alpha))-|5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole|SESAMOLIN [MI]|5-[4-(1,3-benzodioxolol-5-yloxy)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxole|SCHEMBL163696|CHEMBL2059646|CHEBI:175751|DTXCID301323428|HY-N0809|tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-1h,3h-furo[3,4-c]furan|MFCD04112844|AKOS030573689|AC-35092|AS-74827|CS-0009814|A1-06842|Q-100595|Q15720551|1,3-Benzodioxole,5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-,(1S,3aR,4R,6aR)-|5-[(1S,3aR,4R,6aR)-4-(2H-1,3-benzodioxol-5-yloxy)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole|5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]oxy]-1,3-benzodioxole |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.540 |
| Log Po/w (XLOGP3) : 2.980 |
| Log Po/w (WLOGP) : 2.560 |
| Log Po/w (MLOGP) : 1.850 |
| Log Po/w (SILICOS-IT) : 2.770 |
| Consensus Log Po/w : 2.740 |

