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CHEBI:91160 - 4-methoxy-3-indolylmethylamine

ChEBI IDCHEBI:91160
ChEBI Name4-methoxy-3-indolylmethylamine
Stars
DefinitionAn aminoalkylindole that is 3-(aminomethyl)indole in which the hydrogen at position 4 has been replaced by a methoxy group.
Secondary ChEBI IDCHEBI:140608
Last Modified18 April 2018
Submittermwilliams, Steve
DownloadsMolfile
FormulaC10H12N2O
Net Charge0
Average Mass176.219
Monoisotopic Mass176.09496
SMILESCOc1cccc2ncc(CN)c12
InChIInChI=1S/C10H12N2O/c1-13-9-4-2-3-8-10(9)7(5-11)6-12-8/h2-4,6,12H,5,11H2,1H3
InChIKeyYKDYCKHEKOEVJM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) MetaboLights (MTBLS160)
root (BTO:0001188) PubMed (25457500)
- PubMed (27656890)
- MetaboLights (MTBLS272)
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
4-methoxy-3-indolylmethylamine (CHEBI:91160) has role Arabidopsis thaliana metabolite (CHEBI:140602)
4-methoxy-3-indolylmethylamine (CHEBI:91160) is a aminoalkylindole (CHEBI:38631)
4-methoxy-3-indolylmethylamine (CHEBI:91160) is a aromatic ether (CHEBI:35618)
4-methoxy-3-indolylmethylamine (CHEBI:91160) is conjugate base of 4-methoxy-3-indolylmethylamine(1+) (CHEBI:136935)
Incoming Relation(s)
4-methoxy-3-indolylmethylamine(1+) (CHEBI:136935) is conjugate acid of 4-methoxy-3-indolylmethylamine (CHEBI:91160)
IUPAC Name 
1-(4-methoxy-1H-indol-3-yl)methanamine
Synonyms  Source
4-MeO-I3CH2NH2ChEBI
4-methoxyindole-3-methylamineChEBI
4-methoxyindole-3-methanamineChEBI
(4-methoxyindol-3-yl)methylamineChEBI
Manual XrefsDatabases
CPDQT-436MetaCyc
Registry NumbersSources
Reaxys:6646542Reaxys
Citations