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CHEBI:66069 - impatienolate

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
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