Theoretical Study on Flavonoids Isolated from Allium vineale
Journal Title: Cumhuriyet Science journal - Year 2018, Vol 39, Issue 1
Abstract
The chemical properties of chrysoeriol-7-O-[2''-O-E-feruloyl]-β-D-glucoside (1), chrysoeriol (2), and isorhamnetin-3-β-D-glucoside (3) from Allium vineale have been investigated as theoretical. RHF/STO-3G method was used for quantum calculations of chemical properties of these compounds. The structures of the compounds were fully optimized and then the results were evaluated by this method. The properties of compounds were presented and the utilization of these compounds in various fields was investigated by comparison of theoretical results with experimental ones. The experimental antioxidant effects were reported previously. The quantum calculations revealed that chrysoeriol (2) was unstable and was prone to react to the radical compounds. In brief, a good antioxidant can donate the electron to the radical compound easily.
Authors and Affiliations
Tunay KARAN, Faik GOKALP, Ramazan ERENLER
Keywords
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