AntiBase 2007

www.interscience.wiley.com

AntiBase 2007The Natural Compound

Identifier

(*) More about SciDex: http://www.lci-publisher.com/scidex.html

on SciDex(*)


Target Groups

• Organic chemists• Biochemists• Pharmaceutical chemists• Microbiologists• Spectroscopists

in pharmaceutical, chemical and biotechnological companies and faculties


One of the 33557 Database Records in AntiBase 2007

Chemical StructureDescriptive data

Physico-chemical dataSpectroscopic data

Biological dataSource

Literature


Searches

There are Searches for

•Registration Numbers•Structures•Compounds•Properties


Search for a CAS-No…

…results in the corresponding

compound

Search for Registration Number


Search for a Chemical Structure

Example: What Cephalosporin Derivatives are described in AntiBase 2007?


Draw your structure with the Scidex Editor or…

…draw it with your own editor and copy/paste it

or…


…upload it from your desktop in a standard format such as Molfile


A substructure search is initiated by default. A search for identity has to be indicated at the “exact” box


The result is 35 Cephalosporin Derivatives, 3 are displayed


Search for a Compound

Example: Search for all compounds with “phenoxy” in the name AND a molecular mass of 300


Search for a Compound

Search for all compounds with “phenoxy” in the name AND a molecular mass of 300 (+-0.5)

One compound fulfils this condition


Combined Substructure/ Property Search

Example: Identify all compounds in AntiBase whichinclude the Tetrahydroxy-Antraquinone substructureAND origin from Aspergillus Versicolor


Step 1: search for tetrahydroxy antraquinoneResult: 74 compounds include the substructure

Keep the result list


Step 2: search for the source aspergillus versicolorResult: 67 compounds origin from this source

Keep the result list


The stored sets are displayed in Window/Window List

The sets can be combined with Search/Combine Lists

The logical AND has been chosen


The resulting list contains 17 compounds including the query substructure and the given source


Combined Property Search

Example: the molecular mass of a natural compound has been identified with CI/MS: 300 amuThe CNMR spectrum shows a low field resonance at 208 ppm and the UV spectrum a maximum at 228 nm

Is this a known natural compound?


CNMR 180

385 hits

MW 300

114 hits

UV 228

101 hits



If you require any further information on Wiley Data Collections, please go to:

www.wiley-vch.de/stmdata

Documents

AntiBase 2007