aflatoxin B1

CHEBI:2504 EXACT SEEDED toxin

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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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.

An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.

Structure

Standard InChIKey	OQIQSTLJSLGHID-WNWIJWBNSA-N
SMILES	COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@@H]1O2
Stereochemistry	fully defined
Cross-references	pubchem:186907, chembl:CHEMBL1697694

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 pks, from MIBiG.

Producer organisms 5

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
Aspergillus flavus NCBITaxon:5059	SOURCE_ASSERTION	mibig:BGC0000006	DOI:10.1094/phyto-79-808
Aspergillus flavus NCBITaxon:5059	SOURCE_ASSERTION	mibig:BGC0000007	DOI:10.1007/s00253-002-1094-5
Aspergillus flavus NCBITaxon:5059	SOURCE_ASSERTION	mibig:BGC0000008	DOI:10.1371/journal.pone.0199169
Aspergillus nomius NCBITaxon:41061	SOURCE_ASSERTION	mibig:BGC0000009	DOI:10.1007/bf00393843
Aspergillus ochraceoroseus NCBITaxon:138278	SOURCE_ASSERTION	mibig:BGC0000011	DOI:10.1080/15572536.2006.11832818

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
Streptomyces roseolus NCBITaxon:67358	LOTUS	DOI:10.3390/TOXINS10110442
Glycyrrhiza uralensis NCBITaxon:74613	LOTUS	DOI:10.1016/J.FOODCONT.2012.11.028
Homo sapiens NCBITaxon:9606	CHEBI	10.1038/nbt.2488
Homo sapiens NCBITaxon:9606	LOTUS	DOI:10.1007/S11306-016-1051-4
Homo sapiens NCBITaxon:9606	LOTUS	DOI:10.1038/NBT.2488
Aspergillus flavus NCBITaxon:5059	LOTUS	DOI:10.1007/S10600-009-9433-8

Biosynthetic gene clusters 5

Accession	Host	Locus evidence	Genome
mibig:BGC0000006	Aspergillus flavus NCBITaxon:5059	CLUSTER_UNSTATED	genbank:AY510451.1
mibig:BGC0000007	Aspergillus flavus NCBITaxon:5059	CLUSTER_UNSTATED	genbank:AY510452.1
mibig:BGC0000008	Aspergillus flavus NCBITaxon:5059	CLUSTER_UNSTATED	genbank:AY510453.1
mibig:BGC0000009	Aspergillus nomius NCBITaxon:41061	CLUSTER_UNSTATED	genbank:AY510454.1
mibig:BGC0000011	Aspergillus ochraceoroseus NCBITaxon:138278	CLUSTER_UNSTATED	genbank:AY092402.3

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 5

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
Assay of Substrate Hydrolysis from Article 10.1021/bi401043w: "The natural product dihydrotanshinone I provides a prototype for uncharged inhibitors that bind specifically to the acetylcholinesterase peripheral site with nanomolar affinity."	KI 28 uM; INACTIVE	UniProtKB:P22303	PMID:24040835 assay Assay of Substrate Hydrolysis from Article 10.1021/bi401043w: "The natural product dihydrotanshinone I provides a prototype for uncharged inhibitors that bind specifically to the acetylcholinesterase peripheral site with nanomolar affinity." evidence reference PMID:24040835 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1800423, deposited by BindingDB; assay type Confirmatory. call INACTIVE measurement type KI value 28.0 units uM target enzyme UniProtKB:P22303
Bacterial reverse mutation test (aka Ames test) summary data	ACTIVE	Not recorded	pubchem.aid:2202554 assay Bacterial reverse mutation test (aka Ames test) summary data evidence reference pubchem.aid:2202554 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 2202554, deposited by 30443; assay type Other. call ACTIVE
CCRIS carcinogenicity studies	ACTIVE	Not recorded	pubchem.aid:1259411 assay CCRIS carcinogenicity studies evidence reference pubchem.aid:1259411 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1259411, deposited by 22070; assay type Other. call ACTIVE activity class TOXIN
CCRIS mutagenicity studies	ACTIVE	Not recorded	pubchem.aid:1259407 assay CCRIS mutagenicity studies evidence reference pubchem.aid:1259407 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1259407, deposited by 22070; assay type Other. call ACTIVE activity class TOXIN
GENE-TOX mutagenicity studies	ACTIVE	Not recorded	pubchem.aid:1259408 assay GENE-TOX mutagenicity studies evidence reference pubchem.aid:1259408 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1259408, deposited by 22071; assay type Other. call ACTIVE activity class TOXIN

Explore across X-Mech

AntibioticMech (aflatoxin B1) ↗ MediaIngredientMech (CHEBI:2504) ↗ TaxonMech: Aspergillus flavus (NCBITaxon:5059) ↗ TaxonMech: Aspergillus flavus (NCBITaxon:5059) ↗ TaxonMech: Aspergillus flavus (NCBITaxon:5059) ↗ TaxonMech: Aspergillus nomius (NCBITaxon:41061) ↗ PathwayMech (mibig:BGC0000006) ↗ PathwayMech (mibig:BGC0000007) ↗ PathwayMech (mibig:BGC0000008) ↗

Open questions 1

shared-structure — This structure is reported by more than one MIBiG entry: BGC0000006, BGC0000007, BGC0000008, BGC0000009, BGC0000011. Confirm they describe the same compound rather than an upstream cross-reference error.

Provenance

Source concept	Source	Version
BGC0000006	MIBIG	3
BGC0000007	MIBIG	3
BGC0000008	MIBIG	3
BGC0000009	MIBIG	3
BGC0000011	MIBIG	3
CHEBI:2504	CHEBI	3-star

This page is generated from data/natural_products/unclassified/aflatoxin-b1.yaml, which is generated from the committed inventories. Neither is edited by hand.