| Phytochemical Name : beta-Humulene |
| PCNDIDB0080 |
| Pubchem CID : 5318102 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1=CCC(C=CCC(=C)CCC1)(C)C |
Synonymes : beta-Humulene|.beta.-Humulene|(E,E)-1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene|(4E,8E)-beta-humulene|UNII-KK0W1K5Z3S|KK0W1K5Z3S|116-04-1|(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene|1,5-Cycloundecadiene, 1,4,4-trimethyl-8-methylene-, (1E,5E)-|(1E,5E)-1,4,4-trimethyl-8-methylenecycloundeca-1,5-diene|1,5-Cycloundecadiene, 1,4,4-trimethyl-8-methylene-, (E,E)-|(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene (4E,8E)-humula-4,8,11-triene|beta -Humulene|.BETA.-HUMULENE [MI]|CHEBI:49312|DTXSID101019015|(4E,8E)-humula-4,8,11-triene|LMPR0103110005|beta-Humulene, technical, >=90% (GC)|1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene #|Q27121617|trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.300 |
| Log Po/w (XLOGP3) : 4.790 |
| Log Po/w (WLOGP) : 5.040 |
| Log Po/w (MLOGP) : 4.530 |
| Log Po/w (SILICOS-IT) : 4.190 |
| Consensus Log Po/w : 4.370 |