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CHEBI:68050 - pierreione D

ChEBI IDCHEBI:68050
ChEBI Namepierreione D
Stars
DefinitionA methoxyisoflavone that is isoflavone substituted by a methoxy group at position 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
FormulaC26H26O5
Net Charge0
Average Mass418.489
Monoisotopic Mass418.17802
SMILESCOc1cc(-c2coc3cc4c(cc3c2=O)C=CC(C)(C)O4)ccc1OCC=C(C)C
InChIInChI=1S/C26H26O5/c1-16(2)9-11-29-21-7-6-17(13-24(21)28-5)20-15-30-23-14-22-18(12-19(23)25(20)27)8-10-26(3,4)31-22/h6-10,12-15H,11H2,1-5H3
InChIKeyDFLROMXVXHQDBU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Antheroporum pierrei (IPNI:474590-1)
leaf (BTO:0000713) PubMed (21452840) Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1)
twig (BTO:0001411) 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 D (CHEBI:68050) has role metabolite (CHEBI:25212)
pierreione D (CHEBI:68050) has role plant metabolite (CHEBI:76924)
pierreione D (CHEBI:68050) is a methoxyisoflavone (CHEBI:38756)
IUPAC Name 
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'-methoxy-4'-O-(3-methyl-2-butenyl)-3'',3''-dimethylpyrano-(6,7)-isoflavoneChEBI
Registry NumbersSources
Reaxys:21431978Reaxys
Citations