NERYL-ISOBUTYRATE

Structure

2D structure of NERYL-ISOBUTYRATE
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5365991

Names and identifiers

Name

NERYL-ISOBUTYRATE

IUPAC name

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

SMILES

CC(C)C(=O)OC/C=C(/C)\CCC=C(C)C

General information

Molecular formula

C14H24O2

Molecular weight

224.34 g/mol

Monoisotopic mass

224.1776 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 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
Humulus lupulus L. essential oil -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.