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CHEBI:66003 - N-ethylharmine

ChEBI IDCHEBI:66003
ChEBI NameN-ethylharmine
Stars
ASCII NameN-ethylharmine
DefinitionA member of the class of β-carbolines that is 9H-β-carboline substituted by a ethyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
Last Modified25 February 2013
DownloadsMolfile
FormulaC15H16N2O
Net Charge0
Average Mass240.306
Monoisotopic Mass240.12626
SMILESCCn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C15H16N2O/c1-4-17-14-9-11(18-3)5-6-12(14)13-7-8-16-10(2)15(13)17/h5-9H,4H2,1-3H3
InChIKeyIPKUPGYEVPMEEL-UHFFFAOYSA-N
Roles Classification
Biological Role:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
ChEBI Ontology
Outgoing Relation(s)
N-ethylharmine (CHEBI:66003) has functional parent harmine (CHEBI:28121)
N-ethylharmine (CHEBI:66003) has role anti-HIV agent (CHEBI:64946)
N-ethylharmine (CHEBI:66003) is a aromatic ether (CHEBI:35618)
N-ethylharmine (CHEBI:66003) is a semisynthetic derivative (CHEBI:72588)
N-ethylharmine (CHEBI:66003) is a β-carbolines (CHEBI:60834)
IUPAC Name 
9-ethyl-7-methoxy-1-methyl-9H-beta-carboline
Synonym  Source
9-ethyl-7-methoxy-1-methyl-9H-pyrido[3,4-b]indoleChEBI
Registry NumbersSources
Reaxys:8487469Reaxys
Citations