3-epi-welwitindolinone B isothiocyanate
naturalproductmech:mibig-1439bab61e MINTED SEEDED
Structure
| Standard InChIKey | RBPIZRWOMRMEOB-ADDAZVEVSA-N |
|---|---|
| SMILES | CN1C(=O)[C@@H]2C3=C1C=CC=C3[C@@]1(N=C=S)C(=O)[C@H](C[C@@H](Cl)[C@@]1(C)C=C)C2(C)C |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA019701, cyanometdb:CyanoMetDB_1513 |
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 terpene, 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 |
|---|---|---|---|
| Hapalosiphon welwitschii UTEX B 1830 NCBITaxon:1433842 |
SOURCE_ASSERTION | mibig:BGC0000668 | DOI:10.1021/jo00226a009 |
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 |
|---|---|---|
| Hapalosiphon welwitschii NCBITaxon:162986 |
LOTUS | DOI:10.1021/JA00101A015 |
| Hapalosiphon welwitschii NCBITaxon:162986 |
LOTUS | DOI:10.1021/JO00226A009 |
| Hapalosiphon welwitschii NCBITaxon:162986 |
LOTUS | DOI:10.1021/JO00382A012 |
| Hapalosiphon welwitschii NCBITaxon:162986 |
CYANOMETDB | DOI:10.1021/ja00101a015 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000668 | Hapalosiphon welwitschii UTEX B 1830 NCBITaxon:1433842 |
CLUSTER_DEMONSTRATED | genbank:KF811479.1 |
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 |
|---|---|---|
| BGC0000668 | MIBIG | 5 |
This page is generated from data/natural_products/alkaloids/3-epi-welwitindolinone-b-isothiocyanate.yaml, which is generated from the committed inventories. Neither is edited by hand.