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CHEBI:195417 - NBI-31772

ChEBI IDCHEBI:195417
ChEBI NameNBI-31772
Stars
DefinitionAn isoquinoline substituted by 3,4-dihydroxybenzoyl, carboxy, hydroxy, and hydroxy groups at positions 1, 3, 6, and 7, respectively. It is a potent inhibitor of insulin-like growth factor-1 binding protein (IGFBP).
Last Modified20 July 2023
Submitterjonmuyskens
DownloadsMolfile
FormulaC17H11NO7
Net Charge0
Average Mass341.275
Monoisotopic Mass341.05355
SMILESO=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(O)c(O)c2)n1
InChIInChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
InChIKeyZCMFEWUYBFMLIN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
insulin-like growth factor-binding protein inhibitor  Any inhibitor that acts on insulin-like growth factor-binding proteins.
ChEBI Ontology
Outgoing Relation(s)
NBI-31772 (CHEBI:195417) has role insulin-like growth factor-binding protein inhibitor (CHEBI:195444)
NBI-31772 (CHEBI:195417) is a aromatic ketone (CHEBI:76224)
NBI-31772 (CHEBI:195417) is a benzenediols (CHEBI:33570)
NBI-31772 (CHEBI:195417) is a hydroxy monocarboxylic acid (CHEBI:35868)
NBI-31772 (CHEBI:195417) is a isoquinolines (CHEBI:24922)
NBI-31772 (CHEBI:195417) is a tetrol (CHEBI:33573)
IUPAC Name 
1-(3,4-dihydroxybenzoyl)-6,7-dihydroxyisoquinoline-3-carboxylic acid
Synonyms  Source
1-(3,4-dihydroxybenzoyl)-6,7-dihydroxy-3-isoquinolinecarboxylic acidSUBMITTER
NBI31772ChEBI
NBI 31772ChEBI
1-(3',4'-dihydroxybenzoyl)-6,7-dihydroxyisoquinoline-3-carboxylic acidChEBI
6,7-dihydroxy-1-(3,4-dihydroxybenzoyl)isoquinoline-3-carboxylic acidChEBI
Manual XrefsDatabases
21379078ChemSpider
Registry NumbersSources
CAS:374620-70-9ChEBI
Citations