<br/>Natural products (NP), biomolecules produced by living organisms, inspire the pharmaceutical industry and drug design due to their bioactive structural properties. To facilitate in silico NP studies, we assembled the COllection of Open Natural Products (COCONUT) from more than 55 open resources and it is currently the biggest repository for validated and predicted NP. A multitude of molecular features is precalculated for the NPs in COCONUT, facilitating compound search and selection on physicochemical and structural properties.<br/>The COCONUT database is free and open to all users. Its web interface allows for diverse simple searches (e.g. by molecule name, InChI, InChI key, SMILES, molecular formula, predicted bioactivity), advanced search by molecular features, but also chemical searches based on structure similarity and substructure. The database offers simplified downloads of all data and search results. The database can also be queried via a REST API. COCONUT is also one of the first big chemical databases entirely relying on document-based NoSQL technology, which greatly facilitates future data model enhancements and the addition of new features.<br/>COCONUT web is freely available at https://coconut.naturalproducts.net.

Collecting and standardizing natural products: The COCONUT project

ACS Fall 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.