Phytochemical and chemometric investigation of morphotypes of Calophyllum brasiliense Cambess. (Calophyllaceae) in the mountainous region of Espírito Santo, Brazil

Calophyllum brasiliense Cambess. is a highly diverse species in the tropical forests of the American continent, recognized by the traditional community for its phytotherapeutic potential. This diversification is associated with its high ecological plasticity, giving it the ability to synthesize various secondary metabolites such as phenolic compounds, coumarins, chromones, xanthones, terpenes, and flavonoids, all with multiple biological properties. Based on morphological, genetic, and chemical evidences indicating the existence of chemotypes within the species, chemometric and spectroscopic techniques were employed to investigate the similarity or dissimilarity of different morphotypes in a population of C. brasiliense located in the mountainous region of the state of Espírito Santo, Brazil. The ethyl acetate: dichloromethane solution (1:1, v/v) used for secondaries metabolites extraction from.

C. brasiliense leaves proved effective in obtaining extracts rich in polyphenols. The results of multivariate analyses and infrared spectroscopy indicated similar metabolic profiles among morphotypes, highlighting the presence of polyphenolic compounds, with emphasis on the Jacareuba and Diamond morphotypes. Electrospray ionization ESI (−/+) FT-ICR analysis enabled the identification of 20 chemical substances, with notable mention of the chromone 12-acetyl apetalic acid, mammea-type coumarins (B/BB and A/BB), and the pyranocoumarin inophyllum C. Regarding the quantification of gallic acid, both morphotypes showed low levels. Based on the results, we suggest the possibility of different chemotypes within the population, emphasizing the need for further chemometric analyses, molecular studies, and biological activity assessments for a more accurate understanding.