AntiBase: The Natural Compound Identifier

Technique: IR, LC-MS, NMR, UV-Vis

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Overview

Focused antimicrobial research through high-throughput screening library

Developed by Dr. Hartmut Laatsch, AntiBase: The Natural Compound Identifieris a compilation of natural products featuring properties of more than 40,000 compounds and over 41,000 chemical structures. This indispensable database provides researchers with a convenient way of checking if a compound with antimicrobial effects has already been studied and provides insights into biological activity correlated to structural information.

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

Another unique feature of AntiBase is access to predicted 13C-NMR spectra for compounds in which no measured spectra are available. As an NMR shift search can easily be combined with a substructure search, this spectral data further enhances the power of AntiBase to easily differentiate between similar compounds. The predicted, high-quality NMR spectra were produced by Wiley's proprietary NMR spectrum prediction algorithm.

Library Specifications

Natural Product Compounds: 40,004
Chemical Structures: 41,047
Spectra: 44,198
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

Compatibility

ISIS/Base
PerkinElmer ChemFinder
Agilent PCDL
Bio-Rad ChemWindow*
ACD/Labs ACD/Spectrus Processor*

*Subscription required

Compound Coverage

Compound coverage includes:
Algae
Animals
Bacteria
Cyanobacteria
Dinoflagellate
Fungi
Lichens
Myxobacteria
Plants
Protozoan
Slime mold
Yeast

Compound coverage can be searched at www.compoundsearch.com.