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Caryocaraceae is a typical tree from the Brazilian Cerrado with commercial importance due to its edible fruit, known as pequi. This native plant holds significant economic value and is a key candidate for cropping systems. Rich in phytochemicals, such as phenolics, flavonoids, and terpenoids, it has shown notable health benefits. Methods: Considering the importance of terpenes and their biological properties, and based on the first draft genome of C. brasiliense, this study aimed to identify putative terpene synthase genes and classify them into the phylogenetic subfamilies previously identified across all plant lineages. The presence of terpenes was also verified in samples of the outer portion of the fruit by solid-phase microextraction gas chromatography mass-spectrometry. Results: Analysis of genome completeness showed that over 90% of genes were identified despite a highly fragmented assembly, with 71% containing complete gene sequences. Twenty-two genes were retained as putative terpene synthase genes considering their homology with the terpene synthase Hidden Markov Model (HMM) profiles in the Pfam-A database. Ten sequences with a minimum length of 298 amino acids were used for phylogenetic inference. In the resulting phylogenetic tree, C. brasiliense terpene synthase genes clustered within the different previously identified Angiosperm clades and allowed us to classify each gene into different phylogenetic subfamilies: six genes belonged to the h\/d\/a\/b\/g, three to the c, and one to the e\/f. The headspace solid-phase microextraction technique, in conjunction with gas chromatography mass-spectrometry, has allowed for the identification of eleven chemical compounds, including a terpene. Conclusions: This initial identification of putative terpene synthase genes in pequi, together with the chemical analysis of the outer fruits, lays the groundwork for future studies aimed at optimizing terpene biosynthesis for both biological and commercial applications.<\/jats:p>","DOI":"10.3390\/life16010067","type":"journal-article","created":{"date-parts":[[2026,1,2]],"date-time":"2026-01-02T12:23:44Z","timestamp":1767356624000},"page":"67","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Preliminary Identification of Putative Terpene Synthase Genes in Caryocar brasiliense and Chemical Analysis of Major Components in the Fruit Exocarp"],"prefix":"10.3390","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1209-2622","authenticated-orcid":false,"given":"Helena","family":"Trindade","sequence":"first","affiliation":[{"name":"Centre for Ecology, Evolution and Environmental Change (CE3C), Global Change and Sustainability Institute, (CHANGE), Faculty of Sciences, University of Lisbon (FCUL), 1749-016 Lisbon, Portugal"}]},{"given":"Bruno","family":"Nevado","sequence":"additional","affiliation":[{"name":"Centre for Ecology, Evolution and Environmental Change (CE3C), Global Change and Sustainability Institute, (CHANGE), Faculty of Sciences, University of Lisbon (FCUL), 1749-016 Lisbon, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5110-5203","authenticated-orcid":false,"given":"Raquel Linhares Bello","family":"de Ara\u00fajo","sequence":"additional","affiliation":[{"name":"Departamento de Alimentos, Faculdade de Farm\u00e1cia, Campus Belo Horizonte, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, MG, Brazil"}]},{"given":"Viviane Dias Medeiros","family":"Silva","sequence":"additional","affiliation":[{"name":"Departamento de Alimentos, Faculdade de Farm\u00e1cia, Campus Belo Horizonte, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, MG, Brazil"},{"name":"Departamento de Ci\u00eancias Exatas e Biol\u00f3gicas, Universidade Federal de S\u00e3o Jo\u00e3o del-Rei (UFSJ), Campus Sete Lagoas, Sete Lagoas 35701-970, MG, Brazil"}]},{"given":"Lara Louzada","family":"Aguiar","sequence":"additional","affiliation":[{"name":"Departamento de Alimentos, Faculdade de Farm\u00e1cia, Campus Belo Horizonte, Universidade Federal de Minas Gerais, Belo Horizonte 31270-901, MG, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9555-5735","authenticated-orcid":false,"given":"Ana","family":"Ribeiro","sequence":"additional","affiliation":[{"name":"LEAF\u2014Instituto Superior de Agronomia, Universidade de Lisboa, Tapada da Ajuda, 1349-017 Lisboa, Portugal"},{"name":"Faculdade Farm\u00e1cia, Universidade de Lisboa, Av. Prof. Gama Pinto, 1649-003 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7483-0942","authenticated-orcid":false,"given":"Julio Onesio-Ferreira","family":"Melo","sequence":"additional","affiliation":[{"name":"Departamento de Ci\u00eancias Exatas e Biol\u00f3gicas, Universidade Federal de S\u00e3o Jo\u00e3o del-Rei (UFSJ), Campus Sete Lagoas, Sete Lagoas 35701-970, MG, Brazil"},{"name":"LEAF\u2014Instituto Superior de Agronomia, Universidade de Lisboa, Tapada da Ajuda, 1349-017 Lisboa, Portugal"}]},{"given":"Paula","family":"Batista-Santos","sequence":"additional","affiliation":[{"name":"Centro de Estudos Florestais, Laborat\u00f3rio Associado TERRA, Instituto Superior de Agronomia, Universidade de Lisboa, Tapada da Ajuda, 1349-017 Lisboa, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2026,1,1]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Damasco, G., Fontes, C., Fran\u00e7oso, R., and Haidar, R. (2018). 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