| Phytochemical Name : beta-Cubebene |
| PCNDIDB0072 |
| Pubchem CID : 93081 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1CCC(C2C13C2C(=C)CC3)C(C)C |
Synonymes : beta-Cubebene|13744-15-5|(-)-beta-cubebene|(3as,3br,4s,7r,7ar)-7-methyl-3-methylidene-4-(propan-2-yl)octahydro-1h-cyclopenta[1,3]cyclopropa[1,2]benzene|(1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane|(3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene|(3aS,3bR,4S,7R,7aR)-4-Isopropyl-7-methyl-3-methyleneoctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene|1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-|b-Cubebene|(-)-b-Cubebene|C09648|CHEBI:10363|DTXSID201017555|1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 2,3,3a.alpha.,3b.alpha.,4,5,6,7-octahydro-4.alpha.-isopropyl-7.beta.-methyl-3-methylene-|1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3a.alpha.,3b.beta.,4.beta.,7.alpha.,7aS*)]-|Q27108624|(3aS-(3aalpha,3bbata,4b,7a,7aA*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1hcyclopenta(1,3)cyclopropa(1,2)benzene|(3aS-(3aalpha,3bbata,4S,7R,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1H-cyclopenta(1,3)cyclopropa(1,2)benzene |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.390 |
| Log Po/w (XLOGP3) : 4.710 |
| Log Po/w (WLOGP) : 4.270 |
| Log Po/w (MLOGP) : 5.650 |
| Log Po/w (SILICOS-IT) : 4.010 |
| Consensus Log Po/w : 4.410 |

