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CHEBI:65464 - balsaminolate

ChEBI IDCHEBI:65464
ChEBI Namebalsaminolate
Stars
DefinitionAn organic sodium salt which is the monosodium salt of 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione. It is isolated from the aerial parts of Impatiens balsamina and acts as a selective inhibitor of cyclooxygenase 2 (COX-2) enzyme.
Last Modified19 November 2012
DownloadsMolfile
FormulaC12H9O4.Na
Net Charge0
Average Mass240.190
Monoisotopic Mass240.03985
SMILESO=C1C([O-])=C(CCO)C(=O)c2ccccc21.[Na+]
InChIInChI=1S/C12H10O4.Na/c13-6-5-9-10(14)7-3-1-2-4-8(7)11(15)12(9)16;/h1-4,13,16H,5-6H2;/q;+1/p-1
InChIKeyNNKGFBSOJQBFRK-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Impatiens balsamina (ncbitaxon:63779) aerial part (BTO:0001658) PubMed (12033510)
Roles Classification
Biological Roles:
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
balsaminolate (CHEBI:65464) has part 3-(2-hydroxyethyl)-1,4-dioxo-1,4-dihydronaphthalen-2-olate (CHEBI:71183)
balsaminolate (CHEBI:65464) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
balsaminolate (CHEBI:65464) has role metabolite (CHEBI:25212)
balsaminolate (CHEBI:65464) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 3-(2-hydroxyethyl)-1,4-dioxo-1,4-dihydronaphthalen-2-olate
Synonym  Source
sodium 2-hydroxide-3-(2-hydroxyethyl)napthalene-1,4-dioneChEBI
Registry NumbersSources
Reaxys:9597370Reaxys
Citations