esmeraldin

naturalproductmech:mibig-7d1353d67e MINTED SEEDED

Grounding review: No 3-star ChEBI entry shares this structure, so the record keeps a content-hashed identifier.

What these status tags mean

Curation status describes a workflow state. SEEDED means the record entered through the source-seeding workflow; it does not imply that no later curation occurred. PROPOSED marks an addition awaiting review; REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record. These are workflow decisions, not independently verified human review. Agent-assisted contributions may appear in the record history.

Grounding describes the identifier mapping: EXACT uses an ontology identity asserted by the source; MINTED keeps a local identifier when no defensible ontology identity is available; REVIEW_NEEDED flags an exact structure whose ontology identity needs adjudication. The grounding note retains any unresolved alternatives. These tags do not establish the strength of producer or activity evidence.

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.

Mechanism & Biosynthesis Overview

Bioactivities 8

Entries preserve source qualifiers, targets and evidence. Repeated assay names or values are not independent replications; inspect source detail for differences.

Assay	Result	Target enzyme	Source detail
OTUD3 deubiquitinase inhibition: Primary qHTS	ACTIVE	Not recorded	pubchem.aid:1645858 assay OTUD3 deubiquitinase inhibition: Primary qHTS evidence reference pubchem.aid:1645858 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645858, deposited by 24642; assay type Other. Target accession NP_056022 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE
UCHL1 deubiquitinase inhibition: Primary qHTS	ACTIVE	UniProtKB:P09936	pubchem.aid:1645859 assay UCHL1 deubiquitinase inhibition: Primary qHTS evidence reference pubchem.aid:1645859 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645859, deposited by 24642; assay type Other. call ACTIVE target enzyme UniProtKB:P09936
USP10 deubiquitinase inhibition: Primary qHTS	ACTIVE	UniProtKB:Q14694	pubchem.aid:1645856 assay USP10 deubiquitinase inhibition: Primary qHTS evidence reference pubchem.aid:1645856 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645856, deposited by 24642; assay type Other. call ACTIVE target enzyme UniProtKB:Q14694
USP17 deubiquitinase inhibition: Primary qHTS	ACTIVE	UniProtKB:A8MUK1	pubchem.aid:1645855 assay USP17 deubiquitinase inhibition: Primary qHTS evidence reference pubchem.aid:1645855 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645855, deposited by 24642; assay type Other. call ACTIVE target enzyme UniProtKB:A8MUK1
USP28 deubiquitinase inhibition: Primary qHTS	ACTIVE	UniProtKB:Q96RU2	pubchem.aid:1645857 assay USP28 deubiquitinase inhibition: Primary qHTS evidence reference pubchem.aid:1645857 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645857, deposited by 24642; assay type Other. call ACTIVE target enzyme UniProtKB:Q96RU2
USP30 deubiquitinase inhibition: Primary qHTS	ACTIVE	UniProtKB:Q70CQ3	pubchem.aid:1645860 assay USP30 deubiquitinase inhibition: Primary qHTS evidence reference pubchem.aid:1645860 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645860, deposited by 24642; assay type Other. call ACTIVE target enzyme UniProtKB:Q70CQ3
USP7 deubiquitinase inhibition: Primary qHTS	ACTIVE	Not recorded	pubchem.aid:1645854 assay USP7 deubiquitinase inhibition: Primary qHTS evidence reference pubchem.aid:1645854 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645854, deposited by 24642; assay type Other. Target accession NP_003461 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE
USP8 deubiquitinase inhibition: Primary qHTS	ACTIVE	UniProtKB:P40818	pubchem.aid:1645853 assay USP8 deubiquitinase inhibition: Primary qHTS evidence reference pubchem.aid:1645853 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645853, deposited by 24642; assay type Other. call ACTIVE target enzyme UniProtKB:P40818

Explore across X-Mech

AntibioticMech (esmeraldin) ↗ MediaIngredientMech (naturalproductmech:mibig-7d1353d67e) ↗ TaxonMech: Streptomyces antibioticus (NCBITaxon:1890) ↗ PathwayMech (mibig:BGC0000935) ↗

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.