Bioactive oriented discovery of diterpenoids in <i>Coffea arabica</i> basing on 1D NMR and LC-MS/MS molecular network

Coffee diterpenes are a class of characteristic components in coffee, which have potential biological activities including the prevention of cancer, obesity, diabetes, and other diseases. Due to the complex chemical composition of roasted coffee beans, analyzing the composition and potential activity of coffee diterpenes has always been a challenge. In the current research, based on activity-oriented research strategies, three novel coffee diterpene esters (1−3) with moderate α-glucosidase inhibitory activity were separated from roasted Arabica coffee beans. The structures of the three new compounds were determined through comprehensive spectral analysis. To explore trace active diterpene esters of the same type in coffee, a molecular network based on LC-MS/MS was constructed, and three novel coffee diterpene esters (4−6) were identified.