hexadehydroastechrome
CHEBI:73878 EXACT SEEDED
An iron(III) hydroxamate that is astechrome in which the 3-methylbut-2-en-1-yl groups have been oxidised to 3-methylbuta-1,3-dien-1-yl groups. First isolated from Aspergillus fumigatus.
Structure
| Standard InChIKey | QRPYQNLMWIGUCP-VMBSUALFSA-N |
|---|---|
| SMILES | C=C(/C=C/C1=CC=CC2=C1NC=C2CC(N3O[Fe](ON4C(CC5=CNC6=C5C=CC=C6/C=C/C(C)=C)=C(N=C(C4=O)C)OC)ON7C(CC8=CNC9=C8C=CC=C9/C=C/C(C)=C)=C(N=C(C7=O)C)OC)=C(N=C(C3=O)C)OC)C |
| Stereochemistry | fully defined |
Filing pathway
Alkaloids — 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 nrps, 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 fumigatus Af293 NCBITaxon:330879 |
BGC_CHARACTERIZED | mibig:BGC0000372 | PMID:25386169 |
Occurrences 1
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 |
|---|---|---|
| Aspergillus fumigatus NCBITaxon:746128 |
LOTUS | DOI:10.3389/FMICB.2014.00530 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000372 | Aspergillus fumigatus Af293 NCBITaxon:330879 |
CLUSTER_DEMONSTRATED | genbank:CM000171.1 |
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 |
|---|---|---|
| BGC0000372 | MIBIG | 5 |
| CHEBI:73878 | CHEBI | 3-star |
This page is generated from data/natural_products/alkaloids/hexadehydroastechrome.yaml, which is generated from the committed inventories. Neither is edited by hand.