CHEBI:65464 - balsaminolate

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ChEBI Name balsaminolate
ChEBI ID CHEBI:65464
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H9NaO4
Net Charge 0
Average Mass 240.18720
Monoisotopic Mass 240.03985
InChI InChI=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
InChIKey NNKGFBSOJQBFRK-UHFFFAOYSA-M
SMILES [Na+].OCCC1=C([O-])C(=O)c2ccccc2C1=O
Metabolite of Species Details
Impatiens balsamina (NCBI:txid63779) Found in aerial part (BTO:0001658). See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-dione ChEBI
Registry Number Type Source
9597370 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12033510 PubMed citation Europe PMC
Last Modified
19 November 2012