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CHEBI:65686 - cudratricusxanthone A

Default Structure
ChEBI IDCHEBI:65686
ChEBI Namecudratricusxanthone A
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2, 3, 6 and 8, an isoprenyl group at position 1 and a 2-methylbut-3-en-2-yl group at position 5. It is isolated from the root barks of Cudrania tricuspidata and exhibits cytotoxicity towards human cancer cell lines.
Last Modified19 December 2012
DownloadsMolfile
FormulaC23H24O6
Net Charge0
Average Mass396.439
Monoisotopic Mass396.15729
SMILESC=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(CC=C(C)C)c(O)c(O)cc3oc12
InChIInChI=1S/C23H24O6/c1-6-23(4,5)19-14(25)9-13(24)18-21(28)17-12(8-7-11(2)3)20(27)15(26)10-16(17)29-22(18)19/h6-7,9-10,24-27H,1,8H2,2-5H3
InChIKeyFUEJTEBWTNXAPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cudrania tricuspidata (ncbitaxon:210328) root (BTO:0001188) PubMed (15787460) Previous component: root bark;
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.
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor  A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cudratricusxanthone A (CHEBI:65686) has role anti-inflammatory agent (CHEBI:67079)
cudratricusxanthone A (CHEBI:65686) has role antineoplastic agent (CHEBI:35610)
cudratricusxanthone A (CHEBI:65686) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544)
cudratricusxanthone A (CHEBI:65686) has role metabolite (CHEBI:25212)
cudratricusxanthone A (CHEBI:65686) is a polyphenol (CHEBI:26195)
cudratricusxanthone A (CHEBI:65686) is a xanthones (CHEBI:51149)
IUPAC Name 
2,3,6,8-tetrahydroxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Synonym  Source
CTXAChEBI
Registry NumbersSources
Reaxys:9817853Reaxys
Citations