| Phytochemical Name : Vanillosmin |
| PCNDIDV0007 |
| Pubchem CID : 591383 |
| Molecular formula: C15H18O2 |
| Canonical SMILES : CC1=CCC2C(C3C1CCC3=C)OC(=O)C2=C |
Synonymes : Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.)]-|6-Methyl-3,9-dimethylene-3a,4,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one #|6-methyl-3,9-dimethylene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.670 |
| Log Po/w (XLOGP3) : 2.570 |
| Log Po/w (WLOGP) : 3.020 |
| Log Po/w (MLOGP) : 3.260 |
| Log Po/w (SILICOS-IT) : 3.130 |
| Consensus Log Po/w : 2.930 |