CHEBI:68047 - pierreione A

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ChEBI Name pierreione A
Definition A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5 and 3ʼ, a 2R,3-dihydroxy-3-methylbutoxyl 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 C27H30O8
Net Charge 0
Average Mass 482.52230
Monoisotopic Mass 482.19407
InChI InChI=1S/C27H30O8/c1-26(2)10-9-16-19(35-26)12-21-23(25(16)32-6)24(29)17(13-33-21)15-7-8-18(20(11-15)31-5)34-14-22(28)27(3,4)30/h7-13,22,28,30H,14H2,1-6H3/t22-/m1/s1
SMILES COc1cc(ccc1OC[C@@H](O)C(C)(C)O)-c1coc2cc3OC(C)(C)C=Cc3c(OC)c2c1=O
Metabolite of Species Details
Antheroporum pierrei (IPNI:474590-1) Found in twig (BTO:0001411). Dried leaves and twigs were extracted with CH2Cl2/MeOH (1:1) See: PubMed
Antheroporum pierrei (IPNI:474590-1) Found in leaf (BTO:0000713). 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pierreione A (CHEBI:68047) has role antineoplastic agent (CHEBI:35610)
pierreione A (CHEBI:68047) has role metabolite (CHEBI:25212)
pierreione A (CHEBI:68047) has role plant metabolite (CHEBI:76924)
pierreione A (CHEBI:68047) is a methoxyisoflavone (CHEBI:38756)
Synonym Source
3ʼ,5-dimethoxy-4ʼ-(2R,3-dihydroxy-3-methylbutoxyl)-3ʼʼ,3ʼʼ-dimethylpyrano-(6,7)-isoflavone ChEBI
Registry Number Type Source
21431981 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21452840 PubMed citation Europe PMC
Last Modified
14 November 2013