CHEBI:68049 - pierreione C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pierreione C
ChEBI ID CHEBI:68049
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
Download Molfile XML SDF
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
InChIKey FDPHNMKJMRWIBY-UHFFFAOYSA-N
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)
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
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