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CHEBI:66002 - N-butylharmine

ChEBI IDCHEBI:66002
ChEBI NameN-butylharmine
Stars
ASCII NameN-butylharmine
DefinitionA member of the class of β-carbolines that is 9H-β-carboline substituted by a butyl 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
FormulaC17H20N2O
Net Charge0
Average Mass268.360
Monoisotopic Mass268.15756
SMILESCCCCn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C17H20N2O/c1-4-5-10-19-16-11-13(20-3)6-7-14(16)15-8-9-18-12(2)17(15)19/h6-9,11H,4-5,10H2,1-3H3
InChIKeyZTHNVHJIFDQKKE-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-butylharmine (CHEBI:66002) has functional parent harmine (CHEBI:28121)
N-butylharmine (CHEBI:66002) has role anti-HIV agent (CHEBI:64946)
N-butylharmine (CHEBI:66002) is a aromatic ether (CHEBI:35618)
N-butylharmine (CHEBI:66002) is a semisynthetic derivative (CHEBI:72588)
N-butylharmine (CHEBI:66002) is a β-carbolines (CHEBI:60834)
IUPAC Name 
9-butyl-7-methoxy-1-methyl-9H-β-carboline
Synonym  Source
9-butyl-7-methoxy-1-methyl-9H-pyrido[3,4-b]indoleChEBI
Registry NumbersSources
Reaxys:8493985Reaxys
Citations