Sorgoleone, a lipophilic benzoquinone allelochemical exuded by sorghum [Sorghum bicolor (L) Moench] root, represents a promising multitarget botanical herbicide with significant potential for sustainable weed management. Sorgoleone inhibits weed growth through concurrent disruption of mitochondrial respiration, photosystem II electron transfer, carotenoid biosynthesis, and root H+-ATPase activity. It exhibits broad-spectrum activity against terrestrial weeds and aquatic plants, with heightened efficacy against small-seeded species and dicots. Environmentally, sorgoleone is also a biological nitrification inhibitor (BNI) that could suppress soil nitrification (enhancing nitrogen use efficiency by 15-20%) and enhances arbuscular mycorrhizal symbiosis. Due to its important bioactivities and potential application value, plant extraction, chemical synthesis, and biosynthetic synthesis have been explored to overcome production constraints of sorgoleone. This review provides a summary and discussion of the biological activities, herbicidal mechanisms, total synthesis, and biosynthesis of sorgoleone, serving as a basis for further research and applications.