Classification of flavonoid compounds by using entropy of information theory

Information entropy-based classification of triterpenoids and steroids from Ganoderma

“…Group g1111 with the greatest values of antioxidant potency corresponds to steroids with a 3-ketone conjugated with at least two carbon-carbon double bonds, e.g., ergosta-4,6,8(14),22-tetraen-3-one (3). This result can be explained because the presence of these conjugated double bonds stabilizes, by resonance, the corresponding radical and lends planarity to the structure, which increases the activity of these compounds, as was shown in previous publications of flavonoids and stilbenoids (Castellano et al, 2013(Castellano et al, , 2014.…”

“…The computational method was previously described and successfully applied to the classifications of polyphenolic (Castellano et al, 2012), flavonoid (Castellano et al, 2013) and stilbenoid (Castellano et al, 2014) compounds. The first step for quantifying the concept of similarity for triterpenoid and steroid molecules is to list their most important moieties with respect to the antioxidant activity of the substances.…”

“…The structure classification system used here is not a brandnew finding and has been widely applied for the analysis of other types of phytochemicals. In earlier publications, the molecular classification of 33 phenolic compounds derived from the cinnamic and benzoic acids based on chemical structure indices and their relationship to the antioxidant properties of Posidonia oceanica (Castellano et al, 2012), the categorization of 74 flavonoid molecules using information theory (Castellano et al, 2013) and the clustering of 66 stilbenoids by information entropy (Castellano et al, 2014) were reported and related to their antioxidant activity.…”

Induction of cellular and molecular immunomodulatory pathways by vitamin A and flavonoids

“…Flavonoids are natural ketone containing chemical compounds found in plants as their secondary metabolites [80]. They are natural phytochemical antioxidants that have been proposed to possess anti-inflammatory, antiviral, anti-proliferative and anti-carcinogenic properties [80].…”

“…They are natural phytochemical antioxidants that have been proposed to possess anti-inflammatory, antiviral, anti-proliferative and anti-carcinogenic properties [80]. The basic structure of flavonoids includes a 15 carbon compound in the form of 2 benzene rings connected by a 3 carbon chain, which forms a pyran ring containing oxygen (Figure 3).…”