About SuperNatural III

Natural products (NPs) are single chemical compounds, substances or mixtures produced by a living organism - found in nature. Evolutionarily, NPs have been used as healing agents since thousands of years and still today continue to be the most important source of new potential therapeutic preparations. Natural products have played a key role in drug discovery for infectious diseases. Furthermore, following the increasing demand of consumers for natural food ingredients, many efforts have been made to discover natural low-calorie sweeteners in recent years. SuperNatural 3.0 is a freely available database of natural products and natural product-based derivatives. The updated version contains 790,096 different structures including isomers and 449,058 unique natural compounds along with their structural and physicochemical information. Additionally, information on pathways, mechanism of action, toxicity, vendor information (if available), drug-like chemical space prediction for several diseases as antiviral, antibacterial, antimalarial, anticancer, and target specific cells like the central nervous system (CNS) are also provided for the natural compounds. Additionally, a valuable pool of natural compounds is provided, in which potential highly sweet compounds are expected to be found. The possible taste profile of the natural compounds was predicted using our published VirtualTaste models.
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Toxicity via ProTox

Toxic doses are often given as LD50 values in mg/kg body weight. Toxicity classes are defined according to the globally harmonized system of classification of labelling of chemicals (GHS)

Example Natural Compound: Scutellarein

Scutellarein is extracted from the perennial herb Scutellaria lateriflora and is known to possess anticancer potential. The user can search the compound ‘scutellarein’ via name or SuperNatural ID (SN0176761) under compound search or via structure search. The query result page will include information on the compounds, structure, toxicity class, physicochemical properties and vendor information. Using the MOA function and the ID, information on related target can be retrieved such as G protein-coupled receptor kinase 6, Succinate-semialdehyde dehydrogenase, mitochondrial, Alpha-amylase 1A. Similarly, using the pathways search, enriched human pathways information on the compounds can be achieved including the enrichment scores and e-values for the respective pathways. Via the COVID-19 tab, the compound shows the potential to be an inhibitor of the main protease of the SARs-CoV2 with a confidence score of 0.9. Scutellarein has been also found as one of the polar compounds as the herbal remedies of coronavirus, MERS, or SARS . Furthermore, the taste of the compound, which is bitter, can be accessed using the ‘Taste’ tab of the webserver.