Secondary metabolite:beta-Bisabolene



EOCID000662
Summary

sCentInDB Chemical identifier: EOCID000662

Chemical name: beta-Bisabolene

Molecular formula: C15H24

SMILES: CC(=CCCC(=C)[C@H]1CCC(=CC1)C)C

InChI: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1

InChIKey: XZRVRYFILCSYSP-OAHLLOKOSA-N

Chemical classification

Kingdom: Organic compounds

Superclass: Lipids and lipid-like molecules

Class: Prenol lipids

Subclass: Sesquiterpenoids

Synonymous chemical name(s):
β -bisabolene, beta-bisabolene, β-bisabolene, β‑bisabolene, .beta.-bisabolene, cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (s)-, β-bisaboline, beta bisabolene

External chemical identifier(s):
CID:10104370, CHEMBL1077088, CHEBI:49263, CHEMSPIDER:8279897, ZINC000001846611, FDASRS:S19BRC22QA, MOLPORT:046-691-372, SURECHEMBL:SCHEMBL83912

Spectrabase ID: 66gI5FOEPbf

Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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