cacaoidin
naturalproductmech:mibig-1bd1037c43 MINTED SEEDED
Structure
| Standard InChIKey | AIRSSZAIEIYYPQ-QBIWCITBSA-N |
|---|---|
| SMILES | C=C1NC(=O)[C@H](N(C)C)CSC[C@H](C(=O)N[C@@H](CC)C(=O)N[C@H](C(=O)N[C@H](CC2=CC=C(O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@H]4O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@H]3O)C=C2)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)CN[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]2C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC3=CNC4=CC=CC=C34)C(=O)NCC(=O)N/C=C/S[C@H]2C)[C@H](C)CC)C(C)C)[C@@H](C)CC)NC(=O)C2CCCN2C(=O)[C@@H](C)NC1=O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | npatlas:NPA031549 |
Filing pathway
Unclassified — 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 ribosomal, 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 |
|---|---|---|---|
| Streptomyces cacaoi CA-170360 NCBITaxon:1898 |
SOURCE_ASSERTION | mibig:BGC0002130 | PMID:33917820 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002130 | Streptomyces cacaoi CA-170360 NCBITaxon:1898 |
CLUSTER_DEMONSTRATED | genbank:MT210103.1 |
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 |
|---|---|---|
| BGC0002130 | MIBIG | 3 |
This page is generated from data/natural_products/unclassified/cacaoidin.yaml, which is generated from the committed inventories. Neither is edited by hand.