LC/ESI/MS/MS data analysis on the phytoconstituents of methanolic extract of Jatropha tanjorensis leaves revealed the presence of abundant flavone glucosides (homoorientin, kaempferol-3-o-rutinoside, luteolin-7-o-glucoside, 6-C-pentosyl-8-C-hexosyl apigenin, naringin and vitexin), flavonol (kaempferol and kaempferide) and flavones (baicalein and diosmetin). We, herein, demonstrated that methanolic extract of J. tanjorensis possess DPPH free-radical scavenging activity (IC50 of 49.7 µg/mL), inhibition of lipid peroxidation activity (IC50 of 189.6 µg/mL) and anticancer activity through MTT assay against EAC cells (IC50 of 14.57 µg/mL) and Caco-2 cells (IC50 of 21.0 µg/mL). In silico analysis indicated that cytotoxic activity of the methanolic extract of J. tanjorensis could be attributed to the presence of vitexin and 6-C-pentosyl-8-C-hexosyl apigenin as evidenced by exhaustive molecular docking studies carried out against 8 proteins of Bcl-2 family that play essential role in apoptosis. Moreover, drug-likeness properties of the leads and scopes to develop them as potent anticancer compounds are discussed
