Theoretical and Biochemical Information studies on Compounds Detected in GCMS of Ethanol Extract of Chromolaena odorate Leaf

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Augustine Odiba Aikoye

Abstract

Communication in Physical Sciences 2020, 6(1): 635-648


In order to investigate the presence of chemical and biological active molecules in Chromolaena odorate leaf, ethanol extract of the was subjected to GCMS analysis. The results obtained indicated that most abundant phytochemicals detected in the GCMS analysis of ethanol extract of Chromolaena odorate  leaf were octadecanoic acid (11.35%), methyl elaidate(19.02%) and  erucic acid (20.55%). Others were   6-methyl-1-heptanol, 3-tetradecene, phenol 3,5-bis(1,1-dimethyl)- (3,5-di-tert-butylphenol), 1-methyl-2-(3-methylpentyl)-cyclopropane, 9-methyl-5-undecene, iminodiacetonitrile, metholene, 2-ethyl-heptanoic acid, 1-nitrododecane, 4,4-dimethyl-cyclohex-2-en-1-ol, cyclohexylpropanamide, nobilinem6-hydroxy, decamethylene glycol, 3,3,5-trimethyl-1,4-hexadiene and 1,1,3,3-tetramethylcyclopentane. Application of physicochemical and molecular descriptors analysis indicated that nobiline, 6-hydroxy is leaf the most reactive component of the phytochemical while 1,1,3,3-tetramethylcyclopentane is the least reactive. Chemical and biological activities of the compounds in ethanol extract of Chromolaena odorate leaf have been documented in this work. Docking of some of the biological active component is recommended for further study.

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Augustine Odiba Aikoye , University of Nigeria, Nsukka, Enugu State, Nigeria

Department of Pure and Industrial Chemistry

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