azanigerone A
CHEBI:133852 EXACT SEEDED
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.
Structure
| Standard InChIKey | GIDMWMOVOCXADR-UHFFFAOYSA-N |
|---|---|
| SMILES | CCC(C)CC(C)C(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)C(=O)O)C |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:122198269, npatlas:NPA015930 |
Filing pathway
Polyketides — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is pks, from MIBiG.
Producer organisms 1
A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.
| Taxon | Basis | Cluster | Evidence |
|---|---|---|---|
| Aspergillus niger ATCC 1015 NCBITaxon:380704 |
SOURCE_ASSERTION | mibig:BGC0001143 | PMID:22921072 |
Occurrences 4
Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.
| Taxon | Source | Reference |
|---|---|---|
| Chaetomium globosum NCBITaxon:38033 |
LOTUS | DOI:10.1021/JA3090498 |
| Chaetomium globosum NCBITaxon:38033 |
CHEBI | PMID:23072467 |
| Aspergillus niger NCBITaxon:5061 |
LOTUS | DOI:10.1016/J.CHEMBIOL.2012.07.004 |
| Aspergillus niger ATCC 1015 NCBITaxon:380704 |
CHEBI | PMID:22921072 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001143 | Aspergillus niger ATCC 1015 NCBITaxon:380704 |
CLUSTER_UNSTATED | genbank:ACJE01000001.1 |
A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001143 | MIBIG | 4 |
| CHEBI:133852 | CHEBI | 3-star |
This page is generated from data/natural_products/polyketides/azanigerone-a.yaml, which is generated from the committed inventories. Neither is edited by hand.