CHEBI:133847 - aspernigrin B

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ChEBI Name aspernigrin B
Definition A pyridine alkaloid with formula C27H24N2O5 that is isolated from Aspergillus niger and displays neuroprotective protperties.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
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Formula C27H24N2O5
Net Charge 0
Average Mass 456.491
Monoisotopic Mass 456.16852
InChI InChI=1S/C27H24N2O5/c1-33-21-15-25(34-26(31)16-21)23(13-19-10-6-3-7-11-19)29-17-22(27(28)32)24(30)14-20(29)12-18-8-4-2-5-9-18/h2-11,14-17,23H,12-13H2,1H3,(H2,28,32)/t23-/m0/s1
SMILES C=1C(=CC=CC1)CC=2N(C=C(C(C2)=O)C(=O)N)[C@@H](CC=3C=CC=CC3)C=4OC(C=C(C4)OC)=O
Metabolite of Species Details
Aspergillus niger (NCBI:txid5061) See: PubMed
Aspergillus niger (NCBI:txid5061) See: DOI
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
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ChEBI Ontology
Outgoing aspernigrin B (CHEBI:133847) has role Aspergillus metabolite (CHEBI:76956)
aspernigrin B (CHEBI:133847) has role neuroprotective agent (CHEBI:63726)
aspernigrin B (CHEBI:133847) is a 2-pyranones (CHEBI:75885)
aspernigrin B (CHEBI:133847) is a 4-pyridones (CHEBI:20485)
aspernigrin B (CHEBI:133847) is a aromatic ether (CHEBI:35618)
aspernigrin B (CHEBI:133847) is a monocarboxylic acid amide (CHEBI:29347)
aspernigrin B (CHEBI:133847) is a pyridine alkaloid (CHEBI:26416)
Manual Xref Database
C00043300 KNApSAcK
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Registry Numbers Types Sources
29214437 Reaxys Registry Number Reaxys
773855-63-3 CAS Registry Number KNApSAcK
Citation Waiting for Citations Type Source
15387655 PubMed citation Europe PMC
Last Modified
02 March 2017