Abstract: Aspergillus flavus is a saprophytic filamentous pathogenic fungus, which presents widely in the storage and post-processing of grain. It has been ranked the second fungus causing aspergillosis after Aspergillus fumigatus. Meanwhile, the secondary metabolite, aflatoxin, has been classified as a primary carcinogen, which not only causes huge economic losses for China's grain domestic demands and exports, but also seriously harms human and livestock health. Synthesized products are not as prevalent as before due to various disadvantages, such as harmful to human health and the environment, high residue, low degradation, and easy to induce resistance-strains, etc. Besides of physical and biological strategies in fighting against A. flavus, natural products have attracted great attentions for years. They constitute a large class of components or secondary metabolites derived from plants and microorganisms. Many of them are effective inhibitory compounds against A. flavus and have been classified as GRAS (Generally Recognized as Safe) and approved by FDA. Based on the research progress at home and abroad, this review screened the natural antifungal products reported previously and classified them into varied categories, including aldehydes, flavonoids, olefins, alcohols, polyphenols, quinones, peptides and other compounds according to their chemical structures. The main finds are as follows:in the same category, structures, especially the functional groups, affect their antifungal activities, which have been found in alcohols and quinones, revealing the structure-function relationship to some extent; moreover, extensive studies on cellular structures and organelles showed that cell membranes and mitochondria were usually destroyed strongly, indicating that the cell barrier and respiration metabolism were suppressed. In this case, components of cell membrane and mitochondria could be served as antifungal targets. Based on these findings, more natural antifungal products are still on the way to be developed, either by modifying the functional groups or designing new ones targeting specific organelles or components. However, the safety of natural products should also be carefully assessed by cellular and animal experiments prior to the application of food storage, processing, and preservation, etc. Besides of the inhibition of A. flavus growth, another hot topic in recent years is the molecular mechanism of inhibition against aflatoxins synthesis, which focuses on the expression changes of genes participating aflatoxins synthesis and regulation. However, fungi might switch to other pathways and the probable new secondary metabolites should be carefully determined. To sum up, promising antifungal products should possess the qualities of growth inhibition as well as aflatoxin-synthesis suppression. In the future, it is required to further develop potential natural antifungal products, and meanwhile, increase their stability and decrease the dosage.