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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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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