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CHEBI:72481 - 6-bromoharmine

ChEBI IDCHEBI:72481
ChEBI Name6-bromoharmine
Stars
DefinitionA member of the class of β-carbolines that is 9H-β-carboline substituted by a bromo group at position 6, a 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 Modified10 May 2016
Submitternamrata
DownloadsMolfile
FormulaC13H11BrN2O
Net Charge0
Average Mass291.148
Monoisotopic Mass290.00548
SMILESCOc1cc2nc3c(C)nccc3c2cc1Br
InChIInChI=1S/C13H11BrN2O/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13/h3-6,16H,1-2H3
InChIKeyYRYJSDPQWKIQRL-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)
6-bromoharmine (CHEBI:72481) has functional parent harmine (CHEBI:28121)
6-bromoharmine (CHEBI:72481) has role anti-HIV agent (CHEBI:64946)
6-bromoharmine (CHEBI:72481) is a aromatic ether (CHEBI:35618)
6-bromoharmine (CHEBI:72481) is a organobromine compound (CHEBI:37141)
6-bromoharmine (CHEBI:72481) is a semisynthetic derivative (CHEBI:72588)
6-bromoharmine (CHEBI:72481) is conjugate base of 6-bromoharminium(1+) (CHEBI:72480)
Incoming Relation(s)
6-bromoharminium(1+) (CHEBI:72480) is conjugate acid of 6-bromoharmine (CHEBI:72481)
IUPAC Name 
6-bromo-7-methoxy-1-methyl-9H-β-carboline
Registry NumbersSources
Reaxys:8490488Reaxys