| Phytochemical Name : Evodol |
| PCNDIDE0125 |
| Pubchem CID : 185481 |
| Molecular formula: C26H28O9 |
| Canonical SMILES : CC1(C2=C(C(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)O)C |
Synonymes : Evodol|22318-10-1|LIMONIN DIOSPHENOL|Glaucin C|(1R,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione|(4aS,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-7-hydroxy-6,6,8a,12a-tetramethyl-4,4a,9a,12,12a,13,14,14a-octahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione|DTXSID60904237|HY-N2621|AKOS037514644|NSC 314322|XL161810|CS-0023027|11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)-4a,8,8a,9,10,10a,14,14a-octahydro-3-hydroxy-2,2,4a,8a-tetramethyl-, (4aR-(4aalpha,4bR*,5abeta,8beta,8abeta,10abeta,10bR*,14abeta))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.730 |
| Log Po/w (XLOGP3) : 1.230 |
| Log Po/w (WLOGP) : 2.620 |
| Log Po/w (MLOGP) : 0.590 |
| Log Po/w (SILICOS-IT) : 3.320 |
| Consensus Log Po/w : 2.100 |