| Phytochemical Name : alpha-Guaiene |
| PCNDIDA0094 |
| Pubchem CID : 5317844 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1CCC(CC2=C1CCC2C)C(=C)C |
Synonymes : alpha-Guaiene|Guaia-1(5),11-diene|3691-12-1|DTXSID5052046|CHEBI:63443|(1S,4S,7R)-1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene|(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene|alpha-guaiene,guaia-1(5),11-diene,[1S-(1a,4a,7a)]-1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-azulene|Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,4.alpha.,7.alpha.)]-|ABQ2CB7VAC|DTXCID0030613|7-Isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-, [1S-(1.alpha.,4.alpha.,7.alpha.)]-|C20161|Q5613309 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.350 |
| Log Po/w (XLOGP3) : 4.580 |
| Log Po/w (WLOGP) : 4.730 |
| Log Po/w (MLOGP) : 4.630 |
| Log Po/w (SILICOS-IT) : 4.140 |
| Consensus Log Po/w : 4.290 |