ALPHA-BERGAMOTENE

Structure

2D structure of ALPHA-BERGAMOTENE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 86608

Names and identifiers

Name

ALPHA-BERGAMOTENE

Also reported as

BERGAMOTENE

IUPAC name

(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene

SMILES

CC1=CCC2CC1C2(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
Carlina acaulis L. subsp. acaulis rhizome, essential oil -
Kernoczi, Z.S., Hethelyi, E., Danos, B., Tetenyi, P. (1987). Presence of Carlina oxide in plants of hungary. stabilization and antimicrobial effect. Acta Pharm Hung, 57(3/4), 171-181
Carlina vulgaris L. subsp. vulgaris rhizome, essential oil -
Kernoczi, Z.S., Hethelyi, E., Danos, B., Tetenyi, P. (1987). Presence of Carlina oxide in plants of hungary. stabilization and antimicrobial effect. Acta Pharm Hung, 57(3/4), 171-181
Daucus carota L. root 2000 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 200-700 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
Tanacetum vulgare L. subsp. vulgare - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.