CHEBI:133852 - azanigerone A

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ChEBI Name azanigerone A
ChEBI ID CHEBI:133852
Definition An azaphilone that is the ester obtained by formal condensation of the carboxy group of 2,4-dimethylhexanoic acid with the tertiary hydroxy group of 7-hydroxy-7-methyl-6,8-dioxo-7,8-dihydro-6H-2-benzopyran-3-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information ZINC000085560803
Download Molfile XML SDF
Formula C19H22O7
Net Charge 0
Average Mass 362.375
Monoisotopic Mass 362.13655
InChI InChI=1S/C19H22O7/c1-5-10(2)6-11(3)18(24)26-19(4)15(20)8-12-7-14(17(22)23)25-9-13(12)16(19)21/h7-11H,5-6H2,1-4H3,(H,22,23)
InChIKey GIDMWMOVOCXADR-UHFFFAOYSA-N
SMILES C1=2C(=CC(C(C1=O)(OC(C(CC(CC)C)C)=O)C)=O)C=C(OC2)C(O)=O
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) See: PubMed
Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via azaphilone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing azanigerone A (CHEBI:133852) has role Aspergillus metabolite (CHEBI:76956)
azanigerone A (CHEBI:133852) is a β-diketone (CHEBI:67265)
azanigerone A (CHEBI:133852) is a 2-benzopyran (CHEBI:38444)
azanigerone A (CHEBI:133852) is a azaphilone (CHEBI:50941)
azanigerone A (CHEBI:133852) is a carboxylic ester (CHEBI:33308)
azanigerone A (CHEBI:133852) is a cyclic ketone (CHEBI:3992)
azanigerone A (CHEBI:133852) is a dioxo monocarboxylic acid (CHEBI:35951)
azanigerone A (CHEBI:133852) is a polyketide (CHEBI:26188)
IUPAC Name
7-[(2,4-dimethylhexanoyl)oxy]-7-methyl-6,8-dioxo-7,8-dihydro-6H-2-benzopyran-3-carboxylic acid
Registry Number Type Source
22929033 Reaxys Registry Number Reaxys
Citations Types Sources
22921072 PubMed citation Europe PMC
23072467 PubMed citation Europe PMC
Last Modified
03 March 2017