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Background  Dried fruits of  Psoralea corylifolia  L. ( Psoraleae Fructus ) is one of the most popular traditional Chinese medicine with treatment for nephritis, spermatorrhea, pollakiuria, asthma, and various inflammatory diseases. Bakuchiol is main meroterpenoid with bioactive diversity from  Psoraleae Fructus . This study was designed to seek structural diverse bakuchiol derivants with anti-inflammatory activities from this plant.    Methods  Various column chromatography methods were used for isolation experiment. Structures and configurations of these compounds were determined by spectroscopic methods and single-crystal X-ray diffraction. Their inhibition on nitric oxide (NO) production in lipopolysaccharide (LPS)-stimulated RAW264.7 macrophages were evaluated by the Griess reaction.Results  Twelve unpresented bakuchiol dimmers, bisbakuchiols M–U ( 1 – 9 ) and bisbakuchiol ethers A–C ( 10 – 12 ), along with five known compounds ( 13 – 17 ), were isolated from the fruits of  Psoralea corylifolia  L. Compounds  1 – 3 ,  10 – 12 ,  16  and  17  exhibited inhibitory activities against LPS-induced NO production in RAW264.7 macrophages, and the inhibition of compound  1  (half maximal inhibitory concentration (IC 50 ) value = 11.47 ± 1.57 μM) was equal to that of L-N(6)-(1-iminoethyl)-lysine (IC 50  = 10.29 ± 1.10 μM) as a positive control.    Conclusions  Some compounds exhibited inhibitory activities against NO production, and the study of structure–activity relationship suggested that uncyclized compounds with oxygen substitution at C-12/12′ showed strong inhibitory activities, and carbonyl units contributed to enhanced activities.    Supplementary Information  The online version contains supplementary material available at 10.1186/s13020-021-00499-y.

New bakuchiol dimers from Psoraleae Fructus and their inhibitory activities on nitric oxide production