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ChEBI
> Main
CHEBI:85786 - aminopyrrolnitrin
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ChEBI Ontology
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ChEBI Name
aminopyrrolnitrin
ChEBI ID
CHEBI:85786
Definition
A member of the class of pyrroles carrying chloro and 2-amino-3-chlorophenyl substituents at positions 3 and 4 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C10H8Cl2N2
Net Charge
0
Average Mass
227.09000
Monoisotopic Mass
226.00645
InChI
InChI=1S/C10H8Cl2N2/c11-8-3-1-2-6(10(8)13)7-4-14-5-9(7)12/h1-5,14H,13H2
InChIKey
RWAXAHFFXZKMPA-UHFFFAOYSA-N
SMILES
Nc1c(Cl)cccc1-c1c[nH]cc1Cl
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
androgen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of androgens.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
Application
(s):
androgen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of androgens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
aminopyrrolnitrin (
CHEBI:85786
)
has role
androgen antagonist (
CHEBI:35497
)
aminopyrrolnitrin (
CHEBI:85786
)
has role
bacterial metabolite (
CHEBI:76969
)
aminopyrrolnitrin (
CHEBI:85786
)
is a
indole alkaloid (
CHEBI:38958
)
aminopyrrolnitrin (
CHEBI:85786
)
is a
monochlorobenzenes (
CHEBI:83403
)
aminopyrrolnitrin (
CHEBI:85786
)
is a
pyrroles (
CHEBI:26455
)
aminopyrrolnitrin (
CHEBI:85786
)
is a
substituted aniline (
CHEBI:48975
)
IUPAC Name
2-chloro-6-(4-chloro-1
H
-pyrrol-3-yl)aniline
Synonyms
Sources
3-chloro-4-(2-amino-3-chlorophenyl)pyrrole
MetaCyc
aminopyrrolnitrin
UniProt
WB 2838
ChemIDplus
WB-2838
ChemIDplus
Manual Xref
Database
CPD-12775
MetaCyc
View more database links
Registry Numbers
Types
Sources
16386-65-5
CAS Registry Number
ChemIDplus
475715
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16150698
PubMed citation
SUBMITTER
21507634
PubMed citation
Europe PMC
8226310
PubMed citation
Europe PMC
Last Modified
15 July 2016