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CHEBI:69257 - nigerapyrone B

ChEBI IDCHEBI:69257
ChEBI Namenigerapyrone B
Stars
DefinitionA member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 4,6-dimethylbiphenyl-2-yl group at position 6. It has been isolated from an endophytic fungus, Aspergillus niger.
Last Modified13 January 2014
DownloadsMolfile
FormulaC21H20O3
Net Charge0
Average Mass320.388
Monoisotopic Mass320.14124
SMILESCOc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1C
InChIInChI=1S/C21H20O3/c1-13-10-14(2)20(16-8-6-5-7-9-16)17(11-13)19-12-18(23-4)15(3)21(22)24-19/h5-12H,1-4H3
InChIKeyGORRUIALEVAHBX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) mycelium (BTO:0001436) PubMed (21774474) EtOAc extract of mycelium and broth, Endophytic fungus in inner tissue (fresh) of Avicennia marina Strain: MA 132
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nigerapyrone B (CHEBI:69257) has role Aspergillus metabolite (CHEBI:76956)
nigerapyrone B (CHEBI:69257) has role antineoplastic agent (CHEBI:35610)
nigerapyrone B (CHEBI:69257) is a 2-pyranones (CHEBI:75885)
nigerapyrone B (CHEBI:69257) is a ring assembly (CHEBI:36820)
IUPAC Name 
6-(4,6-dimethylbiphenyl-2-yl)-4-methoxy-3-methyl-2H-pyran-2-one
Registry NumbersSources
Reaxys:21856166Reaxys
Citations