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Aggarwal B.,HR Institute of Pharmacy | Singla R.K.,Netaji Subhas Institute of Technology | Ali M.,Hamdard University | Singh V.,Ram Eesh Institute of Vocational and Technical Education 3 | And 3 more authors.
Medicinal Chemistry Research | Year: 2015

Phytochemical studies of ethanolic extract of stems of Ichnocarpus frutescens resulted in the isolation of tetracyclic triterpenic ester lanosteryl oleate (6), two new monoterpenic esters, menth-1(7)-en-9-olyl dodecanoate (7), and 2-(4-methylcyclohex-3-enyl)propyl dodecanoate (8). Their structures were established on the basis of extensive spectral data analysis and chemical methods. From the literature survey, it was revealed that none of these three compounds have been reported earlier from any other parts of I. fructescens. Using StarDrop, drug metabolism and pharmacokinetic parameters have been studied, while data of toxicological endpoints were generated using Derek Nexus. 7 is metabolically stable as compared to 6 and 8. All three molecules are highly lipophilic so tendency to get distributed in brain and adipose tissue is more. Based on the current knowledge database, Derek Nexus predicted that these molecules are not mutagenic, carcinogenic, genotoxic, hepatotoxic, hERG channel inhibitor, nephrotoxic, neurotoxic but StarDrop found them as probable developmental toxic. So in a word, these phytoconstituents have drug-likeness potential and can be evaluated for possible targets. © 2014 Springer Science+Business Media New York. Source

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