SuperNatural 3.0

SuperNatural 3.0 provides a curated database of 449,058 natural products (NPs) and derivatives with structural, physicochemical, biosynthetic pathway, toxicity, vendor, and predictive annotations to support drug discovery, toxicology, and food science research.

Key Features:

• Extensive Compound Repository: Contains 449,058 natural products and derivatives with structural and physicochemical annotations.
• Pathway and Mechanism Insights: Provides biosynthetic pathway information and mechanisms of action associated with listed compounds.
• Toxicity and Vendor Information: Includes available toxicity profiles and vendor information for certain compounds.
• Drug-Like Chemical Space Prediction: Offers predictions of drug-like chemical space and potential therapeutic activities targeting antiviral, antibacterial, antimalarial, anticancer, and central nervous system (CNS) indications.
• Sweet Compound Identification: Curates compounds with predicted high sweetness and taste profiles based on VirtualTaste models.
• Integrated Data Annotations: Integrates structural, physicochemical, and biological data for compound annotation.

Scientific Applications:

• Drug Discovery: Supports identification and prioritization of natural compounds for antiviral, antibacterial, antimalarial, anticancer, and CNS targets.
• Food Science: Enables identification of potential natural low-calorie sweeteners using VirtualTaste-based taste predictions.
• Toxicology Studies: Facilitates assessment of compound safety profiles using available toxicity data.
• Biosynthesis and Mechanistic Research: Provides biosynthetic pathway and mechanism of action data to support studies of natural product biosynthesis and molecular interactions.

Methodology:

The database integrates structural, physicochemical, and biological data and employs VirtualTaste models for taste profile predictions.