Our study concluded that among the 8 anthraquinones, morindone showed high cytotoxicity effect and great selectivity index towards colorectal cancer cell lines as well as strong binding affinities in in-vitro and in-silico investigation towards multiple protein targets of β-catenin, MDM2-p53, and KRAS in comparison to other anthraquinones. The gene discussed is TP53; the disease is colorectal cancer.