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Natural Product Database

Natural products are compounds inherently present in animals, plants, and microorganisms, playing a pivotal role in drug discovery. Since the 1940s, nearly 75% of newly discovered small-molecule anticancer drugs have been derived from or inspired by natural products. Notable examples include Paclitaxel, an anticancer agent extracted from the Pacific yew tree, and Aspirin, a derivative of salicylic acid found in willow leaves. Through millions of years of evolution, natural products have developed superior biological activities and ecological fitness.

In pharmaceutical R&D, the exploration and screening of natural products remain a critical driving force due to their vast structural novelty and untapped chemical motifs. However, compared to combinatorial chemistry, acquiring natural products and their analogs presents significant challenges, including difficult isolation and extraction processes, limited yields, and highly complex synthetic routes. Consequently, the commercial availability of natural products and their analogs is substantially lower than that of conventional lead-like compounds. Furthermore, the high cost of rare natural products often limits the scope and capacity of natural product-based drug screening.

Our Advantages

Natural Product Database
Superior Structural Diversity

Contains 16,708 natural products with diverse structures derived from a wide range of animals, plants, and microorganisms.

Natural Product Database
Comprehensive Documentation

Open-source SDF files provided, serving as a powerful tool for natural product virtual screening.

Natural Product Database
Guaranteed Quality

Product integrity is strictly validated via H-NMR and LC-MS analysis.

Natural Product Database
Physical Availability

Every digital structure corresponds to a physical compound, eliminating the risk of identifying hits that cannot be procured.

Natural Product Database
Guaranteed Lead Times

Streamlined customs clearance ensures that most products are delivered within 20 days.

Natural Product Database

To address challenges in sourcing natural products, the Topscience Database has aggregated structural data for natural products, analogs, and derivatives from reliable global inventories. This series comprises over 180,000 compounds optimized for virtual screening. Since the vast majority are available as physical entities, procurement difficulty and research costs are significantly reduced.

Natural Product Derivative Libraries

Natural product derivatives allow for the modification of intermediate structures while preserving the parent scaffold. By introducing various functional groups, researchers can optimize properties without the loss of biological activity often caused by core structural changes. This library is specifically designed to support advanced research into natural product-related structures.

  • Extensive Variety

    Includes 163,000 natural product derivatives, with datasets continuously expanding.

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  • Optimized Usability

    Standardized data with all redundant structures removed for seamless integration.

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  • Research Reliability

    Most compounds are available as physical products to support downstream experimental validation.

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  • High Purity Standards

    H-NMR and/or LC-MS reports provided, with purity exceeding 90% to meet rigorous screening requirements.

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  • Customized Solutions

    Tailored selection schemes are available to build bespoke small-molecule libraries based on specific client needs.

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Natural Product Monomer Database

While natural products remain a vital source for drug discovery, many existing databases consist primarily of "virtual" structures that lack physical counterparts. To solve this, Topscience Database provides the Natural Product Monomer Database.

  • Rich Diversity

    Features 16,708 natural product monomers covering diverse biological origins.

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  • Powerful Resources

    Open-source SDF structural files provided to facilitate high-efficiency virtual screening.

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  • Experimental Assurance

    Physical entities are available for all entries, bridging the gap between in silico hits and in vitro testing.

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  • Quality Compliance

    H-NMR/LC-MS testing ensures high chemical quality and consistency.

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  • Agile Supply Chain

    In-stock availability ensures rapid delivery and high operational efficiency.

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快速入口
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Through the AnyMol online portal, you can perform comprehensive searches across all compound databases to rapidly locate the products you need. Key details, including inventory status, pricing, and lead times, are clearly listed on the website. In addition to chemical structure searches, the platform supports bulk inventory queries, facilitating the seamless assembly of customized small-to-medium-sized compound libraries tailored to your specific requirements.

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