paerucumarin
CHEBI:140649 EXACT SEEDED
A hydroxycoumarin that is coumarin substituted by an isocyano group at position 3 and hydroxy groups at positions 6 and 7.
Structure
| Standard InChIKey | PBXVYKHISUQHKY-UHFFFAOYSA-N |
|---|---|
| SMILES | OC1=C(O)C=C2C=C([N+]#[C-])C(=O)OC2=C1 |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA018070 |
Filing pathway
Shikimates and phenylpropanoids — 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 other, 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 |
|---|---|---|---|
| Pseudomonas aeruginosa PAO1 NCBITaxon:208964 |
SOURCE_ASSERTION | mibig:BGC0000923 | PMID:10383985 |
Occurrences 6
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 |
|---|---|---|
| Pseudomonas aeruginosa NCBITaxon:287 |
LOTUS | DOI:10.1007/S12275-016-5645-3 |
| Pseudomonas aeruginosa NCBITaxon:287 |
LOTUS | DOI:10.1016/J.MICPATH.2018.12.001 |
| Pseudomonas aeruginosa NCBITaxon:287 |
LOTUS | DOI:10.1128/JB.00801-08 |
| Pseudomonas aeruginosa NCBITaxon:287 |
LOTUS | DOI:10.1128/JB.181.13.4118-4124.1999 |
| Pseudomonas aeruginosa NCBITaxon:287 |
LOTUS | DOI:10.1371/JOURNAL.PONE.0062735 |
| Pseudomonas aeruginosa NCBITaxon:287 |
CHEBI | PMID:18689486 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000923 | Pseudomonas aeruginosa PAO1 NCBITaxon:208964 |
CLUSTER_UNSTATED | genbank:AF002222.1 |
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 |
|---|---|---|
| BGC0000923 | MIBIG | 3 |
| CHEBI:140649 | CHEBI | 3-star |
This page is generated from data/natural_products/shikimates_and_phenylpropanoids/paerucumarin.yaml, which is generated from the committed inventories. Neither is edited by hand.