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CHEBI:68049 - pierreione C

ChEBI IDCHEBI:68049
ChEBI Namepierreione C
Stars
DefinitionA methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 3', a prenyloxy group at position 4' and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity.
Last Modified14 November 2013
DownloadsMolfile
FormulaC27H28O6
Net Charge0
Average Mass448.515
Monoisotopic Mass448.18859
SMILESCOc1cc(-c2coc3cc4c(c(OC)c3c2=O)C=CC(C)(C)O4)ccc1OCC=C(C)C
InChIInChI=1S/C27H28O6/c1-16(2)10-12-31-20-8-7-17(13-22(20)29-5)19-15-32-23-14-21-18(9-11-27(3,4)33-21)26(30-6)24(23)25(19)28/h7-11,13-15H,12H2,1-6H3
InChIKeyFDPHNMKJMRWIBY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Antheroporum pierrei (IPNI:474590-1)
twig (BTO:0001411) PubMed (21452840) Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1)
leaf (BTO:0000713) PubMed (21452840) Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1)
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
pierreione C (CHEBI:68049) has role metabolite (CHEBI:25212)
pierreione C (CHEBI:68049) has role plant metabolite (CHEBI:76924)
pierreione C (CHEBI:68049) is a methoxyisoflavone (CHEBI:38756)
IUPAC Name 
5-methoxy-7-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one
Synonym  Source
3',5-dimethoxy-4'-O-(3-methyl-2-butenyl)-3'',3''-dimethylpyrano-(6,7)-isoflavoneChEBI
Registry NumbersSources
Reaxys:21431979Reaxys
Citations