isoindolin-1-one
CHEBI:74235 EXACT SEEDED
A member of the class of isoindoles that is 2,3-dihydro-1H-isoindole in which the hydrogens at positon 1 are replaced by an oxo group.
Structure
| Standard InChIKey | PXZQEOJJUGGUIB-UHFFFAOYSA-N |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N1 |
| Stereochemistry | fully defined |
| Cross-references | pubchem:10199 |
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 |
|---|---|---|---|
| Stachybotrys chlorohalonata IBT 40285 NCBITaxon:1283841 |
SOURCE_ASSERTION | mibig:BGC0001626 | PMID:28678182 |
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 |
|---|---|---|
| Stachybotrys chlorohalonata NCBITaxon:388913 |
LOTUS | DOI:10.3390/MD15070214 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001626 | Stachybotrys chlorohalonata IBT 40285 NCBITaxon:1283841 |
CLUSTER_UNSTATED | genbank:KL659535.1 |
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.
Open questions 1
name-disagreement — ChEBI calls this structure 'isoindolin-1-one' and MIBiG calls it 'isoindolinone'. They share a Standard InChIKey, so if the names denote different compounds then one upstream record has the wrong structure. Check which.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001626 | MIBIG | 3 |
| CHEBI:74235 | CHEBI | 3-star |
This page is generated from data/natural_products/alkaloids/isoindolin-1-one.yaml, which is generated from the committed inventories. Neither is edited by hand.