Compound: beta-Bisabolene
SMILES: C1(=CC[C@@H](C(=C)CCC=C(C)C)CC1)C
InChIKey: XZRVRYFILCSYSP-OAHLLOKOSA-N
Synonyms: beta-Bisabolene, 495-61-4, (-)-beta-bisabolene, (S)-beta-bisabolene, l-beta-Bisabolene, (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene, S19BRC22QA, Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-, FEMA NO. 4940, CHEBI:49263, (S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene, DTXSID701017550, Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (4S)-, (1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene, CHEBI:49249, RefChem:119214, DTXCID201475737, (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene, (S)-1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene, .beta.-Bisabolene, (-)-.beta.-bisabolene, MFCD16876335, (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene, (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene, (-)-b-Bisabolene (>85%), 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-, UNII-S19BRC22QA, L-b-Bisabolene, ??-Bisabolene, l-.beta.-Bisabolene, BISABOLENE [FHFI], SCHEMBL83912, (+,-)-.beta.-Bisabolene, orb1690495, CHEMBL1077088, (-)-beta-Bisabolene (>85%), AKOS040758160, LMPR0103060013, BS-47085, DA-79176, SY248227, HY-136552, CS-0131096, (1S)-bisabola-4,7(11),10(15)-triene, F73181, Q11595687, (S)-1-methyl-4-(5-methyl-methylene-4-hexenyl)-cyclohexene, cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl), (4S)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene, (s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene, (S)-1-Methyl-4-(6-methyl-1,5-heptadien-2-yl)-1-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, 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-, CYCLOHEXENE, 1-METHYL-4-(5-METHYL-1-METHYLENE-4-HEXENYL-(S)-, CYCLOHEXENE, 1-METHYL-4-(5-METHYL-1-METHYLENE-4-HEXEN-1-YL)-, (4S)-
Theoretical properties:
molecular_formula: C15H24
molecular_weight: 204.35 g/mol
exact_mass: 204.187800766 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 4
heavy_atom_count: 15
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: (S)-beta-bisabolene is a beta-bisabolene which has (1S)-configuration. It is an enantiomer of a (R)-beta-bisabolene.
chebi: A β-bisabolene which has (1<i>S</i>)-configuration.
chembl: BISABOLONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Bisabolenes are a group of closely related natural chemical compounds which are classified as sesquiterpenes.  Bisabolenes are produced from farnesyl pyrophosphate (FPP) and are present in the essential oils of bisabol, and of a wide variety of other plants including cubeb, lemon, and oregano. Various derivates also function as pheromones in different insects, such as stink bugs and fruit flies. Bisabolenes are produced by several fungi, though their biological role in that group of organisms remains unclear.
Three isomers are known, α-, β-, and γ-bisabolene, which differ by the positions of the double bonds.