| Phytochemical Name : beta-Gurjunene |
| PCNDIDB0078 |
| Pubchem CID : 6450812 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1CCC2C(C2(C)C)C3C1CCC3=C |
Synonymes : beta-Gurjunene|73464-47-8|U3RZ4VEY86|UNII-U3RZ4VEY86|(1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene|(1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-Decahydro-1,1,4-trimethyl-7-methylene-1H-cycloprop(e)azulene|1H-Cycloprop(e)azulene, decahydro-1,1,4-trimethyl-7-methylene-, (1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-|CHEBI:80940|DTXSID40994212|C17120|Q27154913|1,1,4-Trimethyl-7-methylidenedecahydro-1H-cyclopropa[e]azulene|(1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidenedecahydro-1H-cyclopropa[e]azulene|(1AR,4R,4AR,7AR,7BR)-DECAHYDRO-1,1,4-TRIMETHYL-7-METHYLENE-1H-CYCLOPROP(E)AZULENE|1H-CYCLOPROP(E)AZULENE, DECAHYDRO-1,1,4-TRIMETHYL-7-METHYLENE-, (1AR,4R,4AR,7AR,7BR)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.240 |
| Log Po/w (XLOGP3) : 4.710 |
| Log Po/w (WLOGP) : 4.270 |
| Log Po/w (MLOGP) : 5.650 |
| Log Po/w (SILICOS-IT) : 3.800 |
| Consensus Log Po/w : 4.330 |