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CHEBI:75314 - peonidin

Default Structure
ChEBI IDCHEBI:75314
ChEBI Namepeonidin
Stars
DefinitionAn anthocyanidin cation that is flavylium bearing four hydroxy substituents at positions 3, 4', 5 and 7 as well as a methoxy substituent at position 3'.
Last Modified20 September 2019
SubmitterSteve
DownloadsMolfile
FormulaC16H13O6
Net Charge+1
Average Mass301.274
Monoisotopic Mass301.07066
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)ccc1O
InChIInChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1
InChIKeyXFDQJKDGGOEYPI-UHFFFAOYSA-O
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
peonidin (CHEBI:75314) has role antineoplastic agent (CHEBI:35610)
peonidin (CHEBI:75314) has role antioxidant (CHEBI:22586)
peonidin (CHEBI:75314) has role apoptosis inducer (CHEBI:68495)
peonidin (CHEBI:75314) has role metabolite (CHEBI:25212)
peonidin (CHEBI:75314) is a 5-hydroxyanthocyanidin (CHEBI:140277)
peonidin (CHEBI:75314) is conjugate acid of peonidin(1−) (CHEBI:144779)
Incoming Relation(s)
peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75707) has functional parent peonidin (CHEBI:75314)
peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75706) has functional parent peonidin (CHEBI:75314)
peonidin 3-O-(6-O-acetyl-β-D-glucoside) (CHEBI:75697) has functional parent peonidin (CHEBI:75314)
peonidin 3-O-β-D-glucoside (CHEBI:74793) has functional parent peonidin (CHEBI:75314)
peonidin chloride (CHEBI:75033) has part peonidin (CHEBI:75314)
peonidin(1−) (CHEBI:144779) is conjugate base of peonidin (CHEBI:75314)
IUPAC Name 
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium
Synonyms  Source
3,4',5,7-tetrahydroxy-3'-methoxyflavyliumChEBI
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyryliumChEBI
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chlorideKEGG COMPOUND
peonidin(1+)ChEBI
peonidin cationChEBI
Manual XrefsDatabases
C08726KEGG COMPOUND
CPD-15052MetaCyc
LMPK12010006LIPID MAPS
PeonidinWikipedia
Registry NumbersSources
Reaxys:1690552Reaxys
CAS:134-01-0ChemIDplus
CAS:134-01-0KEGG COMPOUND
Citations