| Phytochemical Name : alpha-Gurjunene |
| PCNDIDA0095 |
| Pubchem CID : 15560276 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1CCC2C(C2(C)C)C3=C(CCC13)C |
Synonymes : alpha-Gurjunene|(-)-alpha-Gurjunene|489-40-7|(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene|alpha-Grujunene|Gurjunene-alpha|DTXSID0052126|CHEBI:61699|(1aR - (1aa,4a,4ab,7ba)) - 1a,2,3,4,4a,5,6,7b - octahydro - 1,1,4,7 - tetramethyl - 1H - cycloprop(e) azulene|1H-Cycloprop(e)azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7bS)-|1H-Cycloprop(e)azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, (1aR-(1aalpha,4alpha,4abeta,7balpha))-|1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7bS)-|C19734|Q27131296|(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.260 |
| Log Po/w (XLOGP3) : 4.100 |
| Log Po/w (WLOGP) : 4.420 |
| Log Po/w (MLOGP) : 5.650 |
| Log Po/w (SILICOS-IT) : 3.910 |
| Consensus Log Po/w : 4.270 |