CHEBI:66002 - N-butylharmine

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ChEBI Name N-butylharmine
ChEBI ID CHEBI:66002
ChEBI ASCII Name N-butylharmine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H20N2O
Net Charge 0
Average Mass 268.35350
Monoisotopic Mass 268.15756
InChI InChI=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
InChIKey ZTHNVHJIFDQKKE-UHFFFAOYSA-N
SMILES CCCCn1c2cc(OC)ccc2c2ccnc(C)c12
Roles Classification
Biological Role(s): anti-HIV agent
An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-carbolines (CHEBI:60834)
N-butylharmine (CHEBI:66002) is a aromatic ether (CHEBI:35618)
N-butylharmine (CHEBI:66002) is a semisynthetic derivative (CHEBI:72588)
IUPAC Name
9-butyl-7-methoxy-1-methyl-9H-β-carboline
Synonym Source
9-butyl-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole ChEBI
Registry Number Type Source
8493985 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11473435 PubMed citation Europe PMC
Last Modified
25 February 2013