CHEBI:69259 - nigerapyrone D

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ChEBI Name nigerapyrone D ChEBI ID CHEBI:69259 Definition A 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 3-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H16O4 Net Charge 0 Average Mass 248.27440 Monoisotopic Mass 248.10486 InChI InChI=1S/C14H16O4/c1-9(7-10(2)15)5-6-12-8-13(17-4)11(3)14(16)18-12/h5-8H,1-4H3/b6-5+,9-7+ InChIKey QNRKTRKCMAQCAK-SBIWHPGTSA-N SMILES COc1cc(\C=C\C(C)=C\C(C)=O)oc(=O)c1C Metabolite of Species Details Aspergillus niger (NCBI:txid5061) Found in mycelium (BTO:0001436). EtOAc extract of mycelium and broth, Endophytic fungus in inner tissue (fresh) of Avicennia marina of strain MA 132 See: PubMed Roles Classification Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing nigerapyrone D (CHEBI:69259) has role Aspergillus metabolite (CHEBI:76956) nigerapyrone D (CHEBI:69259) has role antineoplastic agent (CHEBI:35610) nigerapyrone D (CHEBI:69259) is a 2-pyranones (CHEBI:75885) nigerapyrone D (CHEBI:69259) is a methyl ketone (CHEBI:51867) IUPAC Name 4-methoxy-3-methyl-6-[(1E,3E)-3-methyl-5-oxohexa-1,3-dien-1-yl]-2H-pyran-2-one Registry Number Type Source 21856160 Reaxys Registry Number Reaxys Citation Type Source 21774474 PubMed citation Europe PMC Last Modified 13 January 2014