The list of 667 known anticancer metabolites.

Cancer remains a major global health challenge with limited therapeutic options. Medicinal plants have emerged as promising candidates for anticancer drug discovery. This study introduces an innovative network pharmacology approach to predict potential anticancer botanicals by analyzing their metabolite profiles. Through bipartite network analysis of 3,250 plants and 667 experimentally validated anticancer metabolites, we identified 61 top-ranked plants, among which 85.25% exhibited known anticancer properties, while 14.75% represented novel candidates. Further experimental validation of F. vulgaris extract revealed its predicted anticancer potential. Biochemical analyses demonstrated high peroxidase activity (0.063 AU/min per mg protein), substantial flavonoid content (178.33 ± 18.3 mg QE/g), and elevated total phenolics (643.3 ± 20.8 mg GAE/g). GC-MS analysis identified 22 bioactive compounds, predominantly featuring documented antioxidant, anticancer, and anti-inflammatory properties. The extract exhibited significant dose-dependent cytotoxicity against breast cancer cell lines, with MTT assays showing significant inhibition (p F. vulgaris as a promising candidate but also cover the way for systematic exploration of understudied botanicals in oncology.