The Natural Compound Identifier
Progress in natural products chemistry today is progress in synthetic chemistry tomorrow. Structure determination of complex natural products delivers not only the most interesting, the most challenging targets for synthetic chemists, but is also the basis of new medical applications of the future. There is no doubt that natural product's isolation and structure identification is still one of the most important areas in chemistry.
AntiBase 2012, the Natural Compound Identifier, is a comprehensive database of more than 40,000 natural compounds from micro-organisms and higher fungi. The databse contains more than 400,000 biological, physical, and physicochemical data records. High resolution masses for M, M+/-H, M+Na ions. The data in AntiBase have been collected from the primary and secondary literature and then carefully checked and validated. AntiBase includes descriptive data (molecular formula and mass, elemental composition, CAS registry number); physico-chemical data (melting point, optical rotation); spectroscopic data (UV, 13C-NMR, IR and mass spectra); biological data (pharmacological activity, toxicity); information on origin and isolation and a summary of literature sources.
A unique feature of AntiBase is the use of predicted 13C-NMR spectra for those compounds where no measured spectra are available. These spectra have been produced using the spectrum prediction program SpecInfo.
Calculated high resolution molecular masses are included in the new update.
- Structure and Substructure Search - The database is distributed through the well known database products from MDL (ISIS/Base), CambridgeSoft (ChemFinder), and SciDex (LCI-Publisher GmbH).
- Spectral features can be searched in AntiBase. This feature enables the natural product chemist to identify a given compound if it had already been isolated and stored in the database.
Microbiologists, organic chemists, biochemists, pharmaceutical chemists and biologists in
pharmaceutical, chemical and biotechnological companies and faculties.