Bioassay-guided fractionation and identification of potential anticancer compounds from MOL extract against TNBC cell lines MDA-MB-231. Crude EtOAc extract was fractionated (no.1–11) and screened for anticancer activities with different in vitro bioassay tests. The strongest fraction was selected for sub-fractionation and identification of bioactive compounds using LC-ESI-QTOF-MS/MS. Three candidate compounds (1-phenyl-2-pentanol, oleamide, and 7-octenoic acid) exhibited anticancer effects through inducing cell cycle arrest. Additionally, suppression of Bcl-2 resulting in the disruption of mitochondrial membrane permeability and subsequent release of apoptogenic factors such as cytochrome c, which activates caspase 3 and finally causes cell apoptosis (** p < 0.01, *** p < 0.001).