Targeted characterisation of bioactive prenylated flavonoids from Ficus carica L. fruits

Abstract

Figs (Ficus carica L.) are rich in bioactive prenylated flavonoids (PFs), which have garnered considerable attention owing to their potential health benefits. In this study, feature-based molecular networking was used to facilitate the targeted isolation of PFs components. Fifty flavonoids, including eight pairs of enantiomers, were isolated, and thirty-eight were identified as PFs. Structural characterisation of the ten novel flavonoids was achieved through comprehensive spectroscopic analysis and quantum chemical calculations. Fig extracts exhibited potent free radical scavenging capacities against DPPH and ABTS radicals. The identification of forty-two polyphenolics using UHPLC-Q-Exactive Orbitrap MS analysis further supported these results. Several compounds showed moderate inhibitory effects against the NF-κB and STAT3 pathways. Structure-activity relationship analysis revealed that the prenyl type and substitution position played a pivotal role in influencing anti-mycobacterial activity. These findings provide novel insights into the targeted isolation, structural features, and activity profiles of PFs in figs.