To investigate the pharmacodynamic material basis of Nepeta bracteata Benth., this study employed silica gel column chromatography and semi-preparative high-performance liquid chromatography to isolate and purify chemical constituents from the dichloromethane and ethyl acetate fractions of its 90% ethanol extract. The structures of the obtained compounds were elucidated using modern spectroscopic techniques, including NMR and MS. An in vitro anti-inflammatory activity screening was conducted using a lipopolysaccharide-induced RAW 264.7 macrophage inflammation model, with indomethacin as the positive control. A total of 21 compounds were isolated and identified from Nepeta bracteata Benth., including: α-linolenic acid (1), benzoic acid (2), ferulaldehyde (3), wogonin(4), syringaldehyde(5), apigenin (6), phenol (7), chrysin (8), syringaresinol (9), 3-indolecarboxaldehyde (10), 5-hydroxy-3',4',6,7-tetramethoxyflavone (11), 1-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-ethanediol (12), 3β-hydroxyurs-12,20-dien-28-oic acid (13), oleanolic acid (14), ursolic acid (15), (E)-2-methoxy-2-oxoethyl-3-(4-hydroxyphenyl) acrylate (16), methyl (E)-feruloylglycolate (17), mckeaniabiphenyl (18), methyl caffeoylglycolate (19), 2-hydroxyethyl caffeate (20), and luteolin (21). Among these, compounds 14 had been previously reported in N. bracteata, while all others were isolated from this species for the first time. Notably, compounds 3, 10, and 17 were newly identified within the Nepeta genus. The in vitro anti-inflammatory assay revealed that syringaresinol (9) and ursolic acid (15) exhibited significant inhibitory effects, with IC₅₀ values of 6.39 μmol/L and 46.12 μmol/L, respectively, compared to indomethacin (IC₅₀ = 11.4 μmol/L).