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Bredemeyera Willd. is a genus of the Polygalaceae family, occurring in Brazil. This research aims to evaluate the phytochemical and antifungal potential, in vitro and in silico, of Bredemeyera brevifolia extracts. The identification of fatty acids by gas chromatography-mass spectrometry and their quantification by gas chromatography-flame ionization detector showed that palmitic (36.55 mg g−1), margaric (3.66 mg g−1), linolelaidic (108.82 mg g−1), oleic (7.86 mg g−1), stearic (41.11 mg g−1), dihomo-γ-linolenic (85.48 mg g−1), and arachidic (209.00 mg g−1) acids are present in the hexane extract. From the chloroform extract, 1-hydroxy-3,7-dimethoxyxanthone was isolated and identified. The minimum inhibitory concentration assay with methanolic extract demonstrated antifungal activity against species of the genus Candida, Sporothrix, and Trichophyton for up to 96 h, with values ranging from 64-1024 μg mL−1. The in silico study with the chemical compounds of this species showed fungal inhibition potential of sterol-14-α-demethylase, highlighting 1-hydroxy-3,7-dimethoxyxanthone, which presented an affinity energy of -8.8 kcal mol−1, greater than that observed for fluconazole (−8.3 kcal mol−1). The fatty acids interacted with the active site of the enzyme but presented energies ≥ −7.4 kcal mol−1. Compounds isolated from this species have pharmacokinetic potential for the development of pharmaceutical formulations. Willd family Brazil extracts chromatographymass chromatography mass chromatographyflame flame 36.55 3655 36 55 (36.5 g−1, g1 g g−1 , 1 3.66 366 3 66 (3.6 108.82 10882 108 82 (108.8 7.86 786 7 86 (7.8 41.11 4111 41 11 (41.1 dihomoγlinolenic dihomo γ linolenic 85.48 8548 85 48 (85.4 209.00 20900 209 00 (209.0 1hydroxy3,7dimethoxyxanthone 1hydroxy37dimethoxyxanthone hydroxydimethoxyxanthone hydroxy 3,7 dimethoxyxanthone identified Candida Sporothrix 9 h 641024 64 1024 64-102 mL1 mL mL−1 sterol14αdemethylase, sterol14αdemethylase sterolαdemethylase sterol 14 α demethylase, demethylase sterol-14-α-demethylase 1hydroxy3,7dimethoxyxanthone, dimethoxyxanthone, 8.8 88 8 -8. mol1 mol mol−1 −8.3 83 (−8. . mol−1) 74 4 −7. formulations 36.5 365 5 (36. g− 3.6 6 (3. 108.8 1088 10 (108. 7.8 78 (7. 41.1 411 (41. 85.4 854 (85. 209.0 2090 20 0 (209. 1hydroxy3 7dimethoxyxanthone 37 3, 64102 102 64-10 mL− αdemethylase 8. -8 mol− −8. (−8 −7 36. (36 3. (3 108. (108 7. (7 41. (41 85. (85 209. 2 (209 1hydroxy 6410 64-1 - −8 (− − ( (10 (4 (8 (20 641 64- (1 (2