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CHEBI:28172 - harmaline

ChEBI IDCHEBI:28172
ChEBI Nameharmaline
Stars
DefinitionA harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.
Secondary ChEBI IDsCHEBI:5621, CHEBI:24475
Last Modified6 March 2020
DownloadsMolfile
FormulaC13H14N2O
Net Charge0
Average Mass214.268
Monoisotopic Mass214.11061
SMILESCOc1ccc2c3c(nc2c1)C(C)=NCC3
InChIInChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
InChIKeyRERZNCLIYCABFS-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
oneirogen  Any substance that produces or enhances dream-like states of consciousness.
ChEBI Ontology
Outgoing Relation(s)
harmaline (CHEBI:28172) has parent hydride harman (CHEBI:5623)
harmaline (CHEBI:28172) has role oneirogen (CHEBI:146270)
harmaline (CHEBI:28172) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Synonyms  Source
HarmalineKEGG COMPOUND
3,4-DihydroharmineChEBI
HarmidineChEBI
ArmalinChEBI
O-MethylharmalolChEBI
Harmalol methyl etherChEBI
Manual XrefsDatabases
C06536KEGG COMPOUND
C00001735KNApSAcK
Registry NumbersSources
Reaxys:207310Reaxys
CAS:304-21-2KEGG COMPOUND
CAS:304-21-2NIST Chemistry WebBook