NERYL-ACETATE

Structure

2D structure of NERYL-ACETATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 1549025

Names and identifiers

Name

NERYL-ACETATE

IUPAC name

(Z)-3,7-dimethylocta-2,6-dien-1-yl acetate

SMILES

O(C\C(=C(/CCC(=C(C)C)[H])C)[H])C(C)=O

General information

Molecular formula

C12H20O2

Molecular weight

196.29 g/mol

Monoisotopic mass

196.1463 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Achillea millefolium L. subsp. millefolium - 28 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Artemisia annua L. - 12-160 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Artemisia vulgaris L. - -
Williamson, E. M. and Evans, F. J., Potter's New Cyclopaedia of Botanical Drugs and Preparations, Revised Ed., Saffron Walden, the C. W. Daniel Co., Ltd., Essex UK, 362 pp, 1988, reprint 1989.
Bellis perennis L. flower, essential oil -
Avato, P., Tava, A. (1995). Acetylenes and terpenoids of Bellis perennis. Phytochemistry, 40(1), 141-147 doi:10.1016/0031-9422(95)00183-8
Bellis perennis L. leaf, essential oil -
Avato, P., Tava, A. (1995). Acetylenes and terpenoids of Bellis perennis. Phytochemistry, 40(1), 141-147 doi:10.1016/0031-9422(95)00183-8
Eupatorium cannabinum L. subsp. cannabinum aerial parts -
Zdero, C., Bohlmann, F. (1987). Eupatoriopicrin 19-o-linolenoate and other constituents from Eupatorium cannabium. Planta Med, 53(2), 169-172 doi:10.1055/s-2006-962665
Eupatorium cannabinum L. subsp. cannabinum root -
Zdero, C., Bohlmann, F. (1987). Eupatoriopicrin 19-o-linolenoate and other constituents from Eupatorium cannabium. Planta Med, 53(2), 169-172 doi:10.1055/s-2006-962665
Hypericum perforatum L. - 1-18 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Juniperus communis L. fruit 6-60 ppm
Lawrence, B.M., Essential Oils 1976-1977, Essential Oils 1978, Essential Oils 1979-1980.
Mentha spicata L. leaf 27-675 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.