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CHEBI:66069 - impatienolate

ChEBI IDCHEBI:66069
ChEBI Nameimpatienolate
Stars
DefinitionAn organic sodium salt that is the disodium salt of impatienol. Isolated from the corolla of Impatiens balsamina, it exhibits inhibitory activity against COX-2.
Last Modified28 February 2013
DownloadsMolfile
FormulaC22H12O6.2Na
Net Charge0
Average Mass418.312
Monoisotopic Mass418.04293
SMILESCC(C1=C([O-])C(=O)c2ccccc2C1=O)C1=C([O-])C(=O)c2ccccc2C1=O.[Na+].[Na+]
InChIInChI=1S/C22H14O6.2Na/c1-10(15-17(23)11-6-2-4-8-13(11)19(25)21(15)27)16-18(24)12-7-3-5-9-14(12)20(26)22(16)28;;/h2-10,27-28H,1H3;;/q;2*+1/p-2
InChIKeyGTBSWVDKMJUHGW-UHFFFAOYSA-L
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)
impatienolate (CHEBI:66069) has part impatienol(2−) (CHEBI:72635)
impatienolate (CHEBI:66069) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
impatienolate (CHEBI:66069) has role metabolite (CHEBI:25212)
impatienolate (CHEBI:66069) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 3,3'-ethane-1,1-diylbis(1,4-dioxo-1,4-dihydronaphthalen-2-olate)
Synonyms  Source
2,2'-ethylidene bis(3-sodium hydroxide-1,4-nphthoquinone)ChEBI
sodium 3-hydroxide-2([sodium 3-hydroxide-1,4-dioxo(2-naphthyl)]ethyl)naphthalene-1,4-dioneChEBI
Registry NumbersSources
Reaxys:9603432Reaxys
Citations