Structural Diversity and Chemical Space of Flavonoids Reported in Latin American Plant Resources: A Cheminformatics Study
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Keywords

flavonoids
chemical space
cheminformatics
natural products

How to Cite

Basantes Basantes, E. F., Ramos-Flores, M., Acosta Ordonez, O. A., & Rodriguez Masabanda, V. H. (2026). Structural Diversity and Chemical Space of Flavonoids Reported in Latin American Plant Resources: A Cheminformatics Study. Universidad Ciencia Y Tecnología, 30(132), 38-47. https://doi.org/10.47460/uct.v30i132.1089

Abstract

Flavonoids constitute a group of plant metabolites of high interest due to their structural diversity and the influence that their chemical modifications exert on their molecular properties. This study characterized the structural diversity and chemical space of flavonoids reported in Latin American plant resources through the integration and curation of open data from COCONUT and PubChem. The methodology was based on the construction of a regional corpus, its strict curation according to chemical consistency and biological origin, nominal integration with PubChem, and descriptive and multivariate analysis of physicochemical descriptors. The results showed a structurally heterogeneous set, with a predominance of methoxylated and glycosylated flavonoids, high chemical traceability between databases, and a discernible organization of the chemical space. Overall, this study provides a reproducible pathway for exploring Latin American natural metabolites using cheminformatics tools

https://doi.org/10.47460/uct.v30i132.1089
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References

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