- Turkish Computational and Theoretical Chemistry
- Vol: 3 Issue: 2
- A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils
A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils
Authors : Faik Gökalp, Temir Ali Demir
Pages : 86-91
Doi:10.33435/tcandtc.543411
View : 13 | Download : 4
Publication Date : 2019-12-15
Article Type : Research
Abstract :The natural active compounds in Oregano essential oils are extremely beneficial for human health and when used as a drug for treatment. In this study, we have examined the two main Oregano essential oils Thymol and Carvacrol. These oils have many functions; predominantly, in biochemical reactions in metabolism. In our research, we theoretically investigated the chemical activities of Carvacrol and Thymol by using B3LYP/6-31G(d,p) method in the gas, water, and blood phases. The point at which ethanol was used as a solvent was important to the study outcome; hence, in this study; the researchers determined the effective rate of Carvacrol with ethanol to explain the interaction mechanism.Keywords : Oregano, Carvacrol, Thymol, Ethanol