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(-)-ditryptophenaline

naturalproductmech:mibig-543520f6e9 MINTED SEEDED enzyme inhibitor

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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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 InChIKeyIQIGYVQQRKFGLN-HSYVCWSSSA-N
SMILESCN1[C@H](C(=O)N2[C@H](C1=O)C[C@@]3([C@H]2NC4=CC=CC=C43)[C@@]56C[C@H]7C(=O)N([C@H](C(=O)N7[C@@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)C)CC1=CC=CC=C1
Stereochemistryfully defined
Cross-referencesnpatlas:NPA009630, pubchem:11445389

Filing pathway

Amino acids and peptides — 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 nrps, 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.

TaxonBasisClusterEvidence
Aspergillus flavus
NCBITaxon:5059		 SOURCE_ASSERTION mibig:BGC0002157 PMID:24677498

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.

TaxonSourceReference
Aspergillus flavus
NCBITaxon:5059		 LOTUS DOI:10.1007/S10600-009-9433-8
Aspergillus flavus
NCBITaxon:5059		 LOTUS DOI:10.1016/S0040-4039(01)83777-1
Aspergillus flavus
NCBITaxon:5059		 LOTUS DOI:10.1021/JO00074A031
Aspergillus flavus
NCBITaxon:5059		 LOTUS DOI:10.1021/NP50111A008

Biosynthetic gene clusters 1

AccessionHostLocus evidenceGenome
mibig:BGC0002157 Aspergillus flavus
NCBITaxon:5059 		CLUSTER_UNSTATED genbank:CP044618.1

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

PRODUCERS & OCCURRENCE 1 producer (0 causal) 4 cited occurrences BIOSYNTHETIC LOCUS 1 gene cluster 0 curated pathway steps NATURAL PRODUCT (-)-ditryptophenaline naturalproductmech:mibig-543520f6e9 Amino acids and peptides TARGETS & BIOACTIVITY 0 molecular targets 16 bioactivities · 0 graphs

Bioactivities 16

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

AssayResultTarget enzymeSource detail
A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells.OTHER 6.5131 uM; NOT_DETERMINEDNot recorded
pubchem.aid:624297
assay
A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells.
evidence
  • reference
    pubchem.aid:624297
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 624297, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_056979 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
6.5131
units
uM
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubationOTHER 11.6891 uM; ACTIVENot recorded
pubchem.aid:504832
assay
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation
evidence
  • reference
    pubchem.aid:504832
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504832, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
11.6891
units
uM
activity class
ENZYME_INHIBITOR
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubationOTHER 4.1475 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504834
assay
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation
evidence
  • reference
    pubchem.aid:504834
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504834, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
4.1475
units
uM
qHTS Assay for Inhibitors of Hepatitis C Virus (HCV)OTHER 0.5623 uM; NOT_DETERMINEDNot recorded
pubchem.aid:651820
assay
qHTS Assay for Inhibitors of Hepatitis C Virus (HCV)
evidence
  • reference
    pubchem.aid:651820
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 651820, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
0.5623
units
uM
qHTS Assay for Inhibitors of JMJD2A-Tudor DomainOTHER 50.1187 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504339
assay
qHTS Assay for Inhibitors of JMJD2A-Tudor Domain
evidence
  • reference
    pubchem.aid:504339
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504339, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession 2QQS_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
50.1187
units
uM
qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)OTHER 0.2119 uM; INACTIVENot recorded
pubchem.aid:2517
assay
qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)
evidence
  • reference
    pubchem.aid:2517
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2517, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession 1DE9_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
0.2119
units
uM
qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent)OTHER 28.1838 uM; NOT_DETERMINEDNot recorded
pubchem.aid:485294
assay
qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent)
evidence
  • reference
    pubchem.aid:485294
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 485294, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession 2HDS_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
28.1838
units
uM
qHTS Inhibitors of AmpC Beta-Lactamase (assay without detergent)OTHER 11.2202 uM; INACTIVENot recorded
pubchem.aid:485341
assay
qHTS Inhibitors of AmpC Beta-Lactamase (assay without detergent)
evidence
  • reference
    pubchem.aid:485341
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 485341, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession 2HDS_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
INACTIVE
measurement type
OTHER
value
11.2202
units
uM
qHTS for Activators of Integrin-Mediated Alleviation for Muscular DystrophyOTHER 0.4467 uM; INACTIVEUniProtKB:P01215
pubchem.aid:624291
assay
qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy
evidence
  • reference
    pubchem.aid:624291
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 624291, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
INACTIVE
measurement type
OTHER
value
0.4467
units
uM
target enzyme
UniProtKB:P01215
qHTS for Inhibitors of TGF-bOTHER 35.4813 uM; NOT_DETERMINEDNot recorded
pubchem.aid:588855
assay
qHTS for Inhibitors of TGF-b
evidence
  • reference
    pubchem.aid:588855
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 588855, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAL68976 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
35.4813
units
uM
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPTOTHER 29.0929 uM; NOT_DETERMINEDNot recorded
pubchem.aid:686978
assay
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT
evidence
  • reference
    pubchem.aid:686978
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 686978, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAI07878 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
29.0929
units
uM
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPTOTHER 16.3601 uM; NOT_DETERMINEDNot recorded
pubchem.aid:686979
assay
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT
evidence
  • reference
    pubchem.aid:686979
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 686979, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAI07878 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
16.3601
units
uM
qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTSOTHER 5.0119 uM; NOT_DETERMINEDNot recorded
pubchem.aid:720579
assay
qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTS
evidence
  • reference
    pubchem.aid:720579
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 720579, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession BAA01847 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
5.0119
units
uM
qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1OTHER 25.1189 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504467
assay
qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1
evidence
  • reference
    pubchem.aid:504467
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504467, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAH15051 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
25.1189
units
uM
Multiplex HTS Screen of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae_specifically_ LAP4_MLPCN.ACTIVENot recorded
pubchem.aid:2023
assay
Multiplex HTS Screen of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae_specifically_ LAP4_MLPCN.
evidence
  • reference
    pubchem.aid:2023
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2023, deposited by NMMLSC; assay type Screening. Target accession CAA81943 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
qHTS Assay for inhibitors of the human cytomegalovirus (HCMV)ACTIVENot recorded
pubchem.aid:1259415
assay
qHTS Assay for inhibitors of the human cytomegalovirus (HCMV)
evidence
  • reference
    pubchem.aid:1259415
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1259415, deposited by NCGC; assay type Screening.
call
ACTIVE
activity class
ENZYME_INHIBITOR

Explore across X-Mech

AntibioticMech ((-)-ditryptophenaline) ↗ MediaIngredientMech (naturalproductmech:mibig-543520f6e9) ↗ TaxonMech: Aspergillus flavus (NCBITaxon:5059) ↗ PathwayMech (mibig:BGC0002157) ↗

Provenance

Source conceptSourceVersion
BGC0002157MIBIG2

This page is generated from data/natural_products/amino_acids_and_peptides/ditryptophenaline.yaml, which is generated from the committed inventories. Neither is edited by hand.