ABSTRACTThe fruit and other parts of Momordica cymbalaria are known to have medicinal properties. The study investigates the chemical composition and functional groups of M. cymbalaria fruits to assess the insecticidal potential of its bioactive metabolites. In silico approach was used to understand the mechanism behind the insecticidal nature of these metabolites. Ethyl acetate extract has 18 compounds, whereas 20 compounds were identified in methanol using gas chromatography–mass spectroscopy analysis. The extracts contain several functional groups, including alkanes, esters, carboxylic acids, amides and aromatic groups. The insecticidal bioassay using methanol and ethyl acetate extracts of M. cymbalaria on Aedes aegypti and Culex quinquefasciatus mosquito larvae shows that the LC50 value for A. aegypti was 65.7 ppm, for C. quinquefasciatus was 96.9 ppm and for ethyl acetate and methanol extract is 282.36 and 388.09 ppm. Molecular docking of secondary metabolites was performed with five insect proteins, namely, odorant binding protein (OBP), cytochrome P450 (CYP450), prophenol oxidase (PPO), arylalkylamine n‐acetyltransferease (aaNAT) and sterol carrier protein (SCP). Results show that methyl 6‐cis, 9‐cis, 11‐trans‐octadecatrienoate has high binding affinity with sterol carrier protein (SCP‐2) besides showing binding with other insect proteins. The data suggest that methyl 6‐cis, 9‐cis, 11‐trans‐octadecatrienoate has multiple insecticidal actions and may serve as a green insecticide.