esmeraldin
naturalproductmech:mibig-7d1353d67e MINTED SEEDED
Structure
| Standard InChIKey | UFEIYIBAKOKKBK-UHFFFAOYSA-N |
|---|---|
| SMILES | CC1C2=C3C(=CC=C2)NC4=C(C=CC=C4N3C5=C1C6=NC7=C(C=CC=C7N=C6C(=C5)C(=O)O)C(C)OC(=O)C8=C(C=CC=C8O)C)C(=O)O |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | pubchem:443757 |
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 other, 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 |
|---|---|---|---|
| Streptomyces antibioticus NCBITaxon:1890 |
BGC_CHARACTERIZED | mibig:BGC0000935 | PMID:22999880 |
Occurrences 2
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 |
|---|---|---|
| Streptomyces antibioticus NCBITaxon:1890 |
LOTUS | DOI:10.1021/JA991159I |
| Streptomyces antibioticus NCBITaxon:1890 |
LOTUS | DOI:10.1021/JO00076A014 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000935 | Streptomyces antibioticus NCBITaxon:1890 |
CLUSTER_DEMONSTRATED | genbank:JF417969.1 |
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.
Bioactivities 8
| Assay | Result | Reference |
|---|---|---|
| OTUD3 deubiquitinase inhibition: Primary qHTS | ACTIVE | pubchem.aid:1645858 |
| UCHL1 deubiquitinase inhibition: Primary qHTS | ACTIVE | pubchem.aid:1645859 |
| USP10 deubiquitinase inhibition: Primary qHTS | ACTIVE | pubchem.aid:1645856 |
| USP17 deubiquitinase inhibition: Primary qHTS | ACTIVE | pubchem.aid:1645855 |
| USP28 deubiquitinase inhibition: Primary qHTS | ACTIVE | pubchem.aid:1645857 |
| USP30 deubiquitinase inhibition: Primary qHTS | ACTIVE | pubchem.aid:1645860 |
| USP7 deubiquitinase inhibition: Primary qHTS | ACTIVE | pubchem.aid:1645854 |
| USP8 deubiquitinase inhibition: Primary qHTS | ACTIVE | pubchem.aid:1645853 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000935 | MIBIG | 5 |
This page is generated from data/natural_products/alkaloids/esmeraldin.yaml, which is generated from the committed inventories. Neither is edited by hand.