| Phytochemical Name : beta-Patchoulene |
| PCNDIDB0085 |
| Pubchem CID : 101731 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1CCC2=C1CC3CCC2(C3(C)C)C |
Synonymes : beta-Patchoulene|.beta.-Patchoulene|EINECS 208-182-5|4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, (1S,4R,7R)-|Patchoulene|4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, [1S-(1.alpha.,4.alpha.,7.alpha.)]-|b-Patchoulene|1,4,9,9-tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene|4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-|DTXSID40859433|(1S,4S,7R)-1,4,9,9-Tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene|4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-,(1S,4R,7R)-|(1S - (1a,4a,7a)) - 1,2,3,4,5,6,7,8 - octahydro - 1,4, 9,9 - tetramethyl - 4,7 - methanoazulene|4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, (1S-(1alpha,4alpha,7alpha))-|4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, [1S-(1?,4?,7?)]-|FT-0777863|Q67879730|1,5,11,11-tetramethyltricyclo[6.2.1.0^{2,6}]undec-2(6)-ene|1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.200 |
| Log Po/w (XLOGP3) : 4.290 |
| Log Po/w (WLOGP) : 4.560 |
| Log Po/w (MLOGP) : 5.650 |
| Log Po/w (SILICOS-IT) : 4.300 |
| Consensus Log Po/w : 4.400 |