Exploring and Comparing Existing Natural Product Databases Towards Whole Person Health Research

Natural products are essential in drug discovery, chemical biology, and medicinal chemistry. Despite their widespread use, NP data remains fragmented across various databases, limiting their utility for whole person health research, which requires comprehensive, interoperable resources. This study explores and compares three major NP databases: COCONUT, NP-MRD, and GSRS, assessing their scope, structural representation, metadata completeness, and accessibility. COCONUT provides extensive chemical diversity, NP-MRD emphasizes spectral and physical property data, and GSRS focuses on regulatory classification. Despite their strengths, overlap between databases is moderate to small, and significant gaps remain in integrating medical and pharmaceutical information. Improved interoperability and harmonization are needed to support advanced computational models for whole person health. Our findings highlight critical gaps and opportunities to enhance NP database integration, laying the groundwork for developing comprehensive resources that better support data-driven investigations of natural products.