| Phytochemical Name : beta-Bisabolene |
| PCNDIDB0062 |
| Pubchem CID : 10104370 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1=CCC(CC1)C(=C)CCC=C(C)C |
Synonymes : beta-Bisabolene|495-61-4|(S)-beta-bisabolene|(-)-beta-bisabolene|l-beta-Bisabolene|.beta.-Bisabolene|(S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene|(-)-.beta.-bisabolene|(S)-1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene|UNII-S19BRC22QA|S19BRC22QA|CHEBI:49263|Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-|(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene|(S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene|6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hepta-1,5-diene|Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (4S)-|1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-|(1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene|l-.beta.-Bisabolene|BISABOLENE [FHFI]|(+,-)-.beta.-Bisabolene|CHEMBL1077088|FEMA NO. 4940|(-)-beta-Bisabolene (>85%)|DTXSID701017550|AKOS040758160|LMPR0103060013|BS-47085|HY-136552|CS-0131096|(1S)-bisabola-4,7(11),10(15)-triene|F73181|Q11595687|(s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene|1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene|(4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene|(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene|1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-|CYCLOHEXENE, 1-METHYL-4-(5-METHYL-1-METHYLENE-4-HEXEN-1-YL)-, (4S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.670 |
| Log Po/w (XLOGP3) : 6.430 |
| Log Po/w (WLOGP) : 5.040 |
| Log Po/w (MLOGP) : 4.530 |
| Log Po/w (SILICOS-IT) : 4.500 |
| Consensus Log Po/w : 4.830 |