gamma-BISABOLENE, (E)-
Basic information
- CAS
13062-00-5- Standard SMILES
CC(C)=CCC/C(C)=C1/CC=C(C)CC1- InChIKey
XBGUIVFBMBVUEG-PFONDFGASA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
(E)-gamma-bisabolene is a gamma-bisabolene.
Names & identifiers
- Preferred name
- gamma-BISABOLENE, (E)-
- IUPAC
- (4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
- English name
- (Z,E)-4,4-(1,5-Dimethyl-4-heptenylidene)-1-methylcyclohexene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
(E)-gamma-Bisabolene53585-13-0gamma-Bisabolene, (E)-gamma-Bisabolene, (4E)-UNII-L8M7R52O3BL8M7R52O3BCyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (E)-Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-, (4E)-Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-, (4E)-CHEBI:49239(1E)-bisabola-1(10),4,7(11)-triene(4E)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene
Show more names
Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-, (4Z)-(Z,E)-4,4-(1,5-Dimethyl-4-heptenylidene)-1-methylcyclohexene
RefChem:36993(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene(E)-.gamma.-Bisabolene(E)-?-BISABOLENE(4E)-1-Methyl-4-(6-methyl-5-hepten-2-ylidene)cyclohexene(E)-1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene(1E)-bisabola-1(10),4,7(11)-triene (4E)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene.gamma.-Bisabolene
Database identifiers
- CAS
13062-00-5、53585-13-0- PubChem CID
- 5352437
- DTXSID
DTXSID101037435- ChEBI
CHEBI:49239- UNII
- L8M7R52O3B
- Nikkaji
- J1.440.502J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
SpringerMaterials PropertiesDensity
Boiling Point280.00 to 281.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 280.8 · 280.8±20.0 °C(Predicted)
- Density
- 0.867 · 0.867±0.06 g/cm3(Predicted)
- LogP
- 6.704 · 6.704 (est)
- FDA UNII
- 452 K502K0 · E452K502K0
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Uses(Z)-γ-Bisabolene is a sesquiterpenes and is found in Lisbon lemons and the essential oil of Ferula alliacea andXylopia aethiopica. (Z)-γ-Bisabolene can be utilized to investigate the fidelity and promiscuity in a terpenoid cyclization reaction of class I terpenoid cyclase epi-isozizaene synthase.
Additional notes
DefinitionChEBI: Gamma-bisabolene is a bisabolene.
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