EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:27943 - harmalol

ChEBI IDCHEBI:27943
ChEBI Nameharmalol
Stars
DefinitionA harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond.
Secondary ChEBI IDsCHEBI:5622, CHEBI:24476
Last Modified25 February 2016
DownloadsMolfile
FormulaC12H12N2O
Net Charge0
Average Mass200.241
Monoisotopic Mass200.09496
SMILESCC1=NCCc2c1nc1cc(O)ccc21
InChIInChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
InChIKeyRHVPEFQDYMMNSY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Undaria pinnatifida (ncbitaxon:74381) - PubMed (25749794)
Roles Classification
Biological Roles:
EC 1.4.3.4 (monoamine oxidase) inhibitor  An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
harmalol (CHEBI:27943) has parent hydride harman (CHEBI:5623)
harmalol (CHEBI:27943) has role algal metabolite (CHEBI:84735)
harmalol (CHEBI:27943) has role EC 1.4.3.4 (monoamine oxidase) inhibitor (CHEBI:38623)
harmalol (CHEBI:27943) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol
Synonyms  Source
HarmalolKEGG COMPOUND
1-methyl-4,9-dihydro-3H-β-carbolin-7-olIUPAC
HarmidolChemIDplus
HarmololChemIDplus
Manual XrefsDatabases
C06537KEGG COMPOUND
Registry NumbersSources
Reaxys:201180Reaxys
CAS:525-57-5KEGG COMPOUND
CAS:525-57-5ChemIDplus
Citations