BETA-BISABOLENE

Structure

2D structure of BETA-BISABOLENE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 403919

Names and identifiers

Name

BETA-BISABOLENE

IUPAC name

1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene

SMILES

CC1=CCC(CC1)C(=C)CCC=C(C)C

General information

Molecular formula

C15H24

Molecular weight

204.36 g/mol

Monoisotopic mass

204.1878 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Daucus carota L. aerial parts 38 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Daucus carota L. root 116 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Daucus carota L. seed 100-3500 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Eupatorium cannabinum L. subsp. cannabinum aerial parts, essential oil -
Hendriks, H., Bos, R., Bruins, A.P. (1985). Analysis of the essential oil of Eupatorium cannabinum by combined gas chromatography-mass spectrometry using electron impact and negative ion chemical ionization. Planta Med, 51(6), 541-542 doi:10.1055/s-2007-969599
Pastinaca sativa L. subsp. sativa root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Petasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. subsp. hybridus rhizome -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.