CITRONELLOL

Structure

2D structure of CITRONELLOL
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

CITRONELLOL

IUPAC name

(3S,E)-6,10-dimethyl-3-(4-methylpent-3-en-1-yl)dodec-6-ene-1,12-diol

SMILES

OCC[C@@H](CC/C=C(/C)C)CC\C(C)=C\CCC(C)CCO

General information

Molecular formula

C20H38O2

Molecular weight

310.52 g/mol

Monoisotopic mass

310.2872 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
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
Juniperus communis L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Nepeta cataria L. essential oil 126000 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Vaccinium myrtillus L. fruit 0 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.