3-(2'-hydroxy-3'-oxo-4'-methylhexyl)-indole
naturalproductmech:mibig-f5689fc9ff MINTED SEEDED
Structure
| Standard InChIKey | GRVFODKSPHRUNC-UHFFFAOYSA-N |
|---|---|
| SMILES | CCC(C)C(=O)C(O)CC1=CNC2=C1C=CC=C2 |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | npatlas:NPA016111 |
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 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 |
|---|---|---|---|
| Xenorhabdus bovienii SS-2004 NCBITaxon:406818 |
SOURCE_ASSERTION | mibig:BGC0000189 | PMID:24488732 |
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 |
|---|---|---|
| Xenorhabdus bovienii NCBITaxon:40576 |
LOTUS | DOI:10.1021/NP50121A016 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000189 | Xenorhabdus bovienii SS-2004 NCBITaxon:406818 |
CLUSTER_DEMONSTRATED | genbank:FN667741.1 |
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 |
|---|---|---|
| BGC0000189 | MIBIG | 4 |
This page is generated from data/natural_products/alkaloids/3-2-hydroxy-3-oxo-4-methylhexyl-indole.yaml, which is generated from the committed inventories. Neither is edited by hand.