| Phytochemical Name : Velleral |
| PCNDIDV0014 |
| Pubchem CID : 14412869 |
| Molecular formula: C15H20O2 |
| Canonical SMILES : CC1C=C(C(=CC2C1CC(C2)(C)C)C=O)C=O |
Synonymes : Velleral|Lactarane|(-)-Vellearal|CHEMBL479316|5,6-Azulenedicarboxaldehyde, 1,2,3,3a,8,8a-hexahydro-2,2,8-trimethyl-, (3aR,8R,8aR)-|DTXSID301030304|LS-188605|Q7919171|(3aR,8R,8aR)-1,2,3,3a,8,8a-Hexahydro-2,2,8-trimethyl-5,6-azulenedicarboxaldehyde |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.360 |
| Log Po/w (XLOGP3) : 2.960 |
| Log Po/w (WLOGP) : 2.940 |
| Log Po/w (MLOGP) : 2.450 |
| Log Po/w (SILICOS-IT) : 3.090 |
| Consensus Log Po/w : 2.760 |