CancerHSP contains 2439 anticancer herbal medicines with 3575 anticancer ingredients. For each ingredient, the molecular structure and nine key ADME parameters are provided. Moreover, we also provided the anticancer activities of these compounds based on 492 different cancer cell lines. Further, 832 target proteins of the compounds are predicted by state-of-art methods or collected from literature. CancerHSP will help reveal the molecular mechanisms of natural anticancer products and fuel anticancer drug development, especially facilitate future investigations on drug repositioning and drug discovery.