Abstract: Molecules for inducing spontaneous calcification of tumor cells and applications thereof. The molecules for inducing spontaneous calcification of tumor cells includes at least two basic units, one of the at least two basic units is a targeting functional unit that targets a molecular fragment of a functional region in the tumor cells/tissues/microenvironments, and the other basic unit is a functional unit for inducing calcification; or molecules for inducing spontaneous calcification of tumor cells comprise at least one basic unit that is both a targeting functional unit and a calcification-inducing functional unit. After calcification of tumor cells occurs, calcium salt deposition on the cell surface will affect metabolism and other physiological processes in tumor cells, leading to apoptosis induction and the suppression of tumor growth. Additionally, after calcification, tumor cells and tissues exhibit improved contrast in clinical images, thereby facilitating early and precise diagnosis of tumor lesions.