CHEBI:68049 - pierreione C

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ChEBI Name pierreione C
Definition A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 3ʼ, a prenyloxy group at position 4ʼ and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H28O6
Net Charge 0
Average Mass 448.50760
Monoisotopic Mass 448.18859
InChI InChI=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
SMILES COc1cc(ccc1OCC=C(C)C)-c1coc2cc3OC(C)(C)C=Cc3c(OC)c2c1=O
Metabolite of Species Details
Antheroporum pierrei (IPNI:474590-1) Found in leaf (BTO:0000713). Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1) See: PubMed
Antheroporum pierrei (IPNI:474590-1) Found in twig (BTO:0001411). Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1) See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Synonym Source
3ʼ,5-dimethoxy-4ʼ-O-(3-methyl-2-butenyl)-3ʼʼ,3ʼʼ-dimethylpyrano-(6,7)-isoflavone ChEBI
Registry Number Type Source
21431979 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21452840 PubMed citation Europe PMC
Last Modified
14 November 2013