Structure Database in ACD/Labs Format

Wiley Antibase: the Natural Compound Identifier

Wiley Antibase: the Natural Compound Identifier

AntiBase is a comprehensive compilation of natural products featuring properties of more than 43,700 compounds. AntiBase provides researchers with a convenient way of checking if a compound with antimicrobial effects has already been studied, and also provide insights into biological activity correlated to structural information. Antimicrobial activity is a key feature in translational and precision medicine making AntiBase an indispensable tool for emerging genomic and metabolomic research. This library compares published data from literature with experimental values from the user by using a dragnet search.

AntiBase includes compound property (molecular formula, mass, elemental composition, compound class), physicochemical (melting point, optical rotation) and spectroscopic data (UV, 13C-NMR, IR, HRMS and mass spectral information). Data have been collected from the primary and secondary literature, then carefully checked and validated with most key references and source information provided as a data field.

AntiBase provides access to predicted 13C-NMR spectra for those compounds where no measured spectra are available. Spectral data can easily be searched along with a substructure search to differentiate between similar compounds. With ACD/NMR Predictors, you can predict NMR spectra from a chemical structure. The predicted NMR spectral data included in AntiBase have been produced by Wiley's proprietary NMR spectrum prediction algorithm.

Specifications of AntiBase 2017:

  • Natural Product Compounds: 43,743
  • Chemical Structures: 41,052
  • C-NMR spectra data: 40,769
  • IR spectra data: 2,098
  • Compound Classification data: 10,227
  • Source/Origin data: 41,307
  • H-NMR spectra data: 629
  • HRMS values for ion types (-H,+H,+Na): 41,048
  • Optical Rotation (OR) values: 7,119
  • Melting point data: 5,566

Read complete information about Antibase on the Wiley web site.