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CHEBI:64044 - isoquinoline-1,5-diol

ChEBI IDCHEBI:64044
ChEBI Nameisoquinoline-1,5-diol
Stars
DefinitionAn isoquinolinol that is isoquinoline in which the hydrogens at positions 1 and 5 are replaced by hydroxy groups.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H7NO2
Net Charge0
Average Mass161.160
Monoisotopic Mass161.04768
SMILESOc1cccc2c(O)nccc12
InChIInChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-5,11H,(H,10,12)
InChIKeyLFUJIPVWTMGYDG-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor  An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of a NAD+ ADP-ribosyltransferase (EC 2.4.2.30).
ChEBI Ontology
Outgoing Relation(s)
isoquinoline-1,5-diol (CHEBI:64044) has role EC 2.4.2.30 (NAD+ ADP-ribosyltransferase) inhibitor (CHEBI:62913)
isoquinoline-1,5-diol (CHEBI:64044) is a isoquinolinol (CHEBI:24923)
IUPAC Name 
isoquinoline-1,5-diol
Synonyms  Source
1,5-dihydroxyisoquinolineChemIDplus
5-hydroxy-1(2H)-isoquinolinoneChemIDplus
Manual XrefsDatabases
LSM-6689LINCS
Registry NumbersSources
Reaxys:128854Reaxys
CAS:5154-02-9ChemIDplus
CAS:5154-02-9NIST Chemistry WebBook