Tribulus pentandrus Forssk. belongs to the genus Tribulus L., a genus that was previously considered one of the main genera of Zygophyllaceae R. Br. but later, it was transferred to the newly established family Tribulaceae Hadidi. Several databases were searched to collect data for this review within the scope of phytochemistry, bioactivity, and plant taxonomy such as Web of Science, Scopus, PubMed, Google Scholar, Reaxys, and Jstor from 1890 until now. Several chemical classes were previously reported from T. pentandrus extract, with flavonoids and steroidal saponins being the most commonly reported classes of compounds. Other reported chemical classes included amides, fatty acids, alkaloids, derivatives of cinnamic acid, and phytosterols. The plant's medicinal value was also reviewed with declaring the conflicts that occur while identifying this plant and the possible consequent biological application inefficiency. This is the first integrated review to cover the chemical, biological, molecular, and botanical previously reported literature.