Cancer remains a leading cause of mortality worldwide, necessitating the exploration of novel therapeutic avenues. Phytochemicals, naturally occurring compounds in plants, have garnered significant attention for their potential anticancer properties. These bioactive molecules, including flavonoids, alkaloids, terpenoids, and phenolic acids, exhibit a range of mechanisms such as antioxidant activity, modulation of cell signaling pathways, induction of apoptosis, inhibition of angiogenesis, and regulation of epigenetic modifications. This review delves into the molecular mechanisms underlying the anticancer effects of various plant-derived compounds, highlighting their roles in targeting specific cancer-related pathways and their potential integration into existing cancer therapies. Furthermore, challenges related to the bioavailability, toxicity, and clinical application of these phytochemicals are discussed, alongside strategies to enhance their efficacy and safety in cancer treatment. Emerging trends in nanotechnology, combinatorial therapy, and molecular modeling are also highlighted to guide future research and therapeutic development.