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CHEBI:68050 - pierreione D

Default Structure
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)
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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
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