Monday, June 05, 2006

Natural Product Databases

Super Natural: a searchable database of available natural compounds
http://bioinformatics.charite.de/supernatural/
--described at http://nar.oxfordjournals.org/cgi/content/full/34/suppl_1/D678
--search with names, RN, properties, templates, supplier ID, structures, etc,
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Chemical Entities of Biological Interest (ChEBI)
www.ebi.ac.uk/chebi
--Search with synonyms, formula, or SMILES
--Displays structure, names, synonyms, SMILES, InChI, formula, registry numbers.
--Links to UniProt, ChemIDplus, etc.
--Ontologies for Molecular Structure, Biological Function, Applications
--3.5K 'natural products'

ChemBank
chembank.broad.harvard.edu
--Search with text, synonyms, SMILES, structures, MW, MF, descriptors, assays
--Displays names, synonyms, SMILES, InChI, biological activity, Screening tests
-- N.A. 'natural products'

ChemIDplus
http://sis.nlm.nih.gov/chemical.html
--Search and display RN, names, MF, structure, properties, etc.
--2000 'natural products'

NCI
catus.nci.nih.gov/ncidb3/download_ncidb3.html
--downloadable structure files from Open NCI Database Compounds
--screenable with NSC/CAS #s, MF, MW, properties, structure, etc.

PubChem
pubchem.ncbi.nlm.nih.gov
--search names, properties, elements, structures (SMILES), etc.

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Antibase (Wiley)

Dictionary of Natural Products (C&H)

SciFinder Scholar

Rompp Online (Wiley-VCH)

Beilstein Crossfire

Merck Index

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Supplier

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