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CHEBI:75033 - peonidin chloride

Default Structure
ChEBI IDCHEBI:75033
ChEBI Namepeonidin chloride
Stars
DefinitionAn anthocyanidin chloride that has peonidin as the cationic component.
Secondary ChEBI IDCHEBI:7987
Last Modified22 August 2013
DownloadsMolfile
FormulaC16H13O6.Cl
Net Charge0
Average Mass336.727
Monoisotopic Mass336.04007
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)ccc1O.[Cl-]
InChIInChI=1S/C16H12O6.ClH/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);1H
InChIKeyOGBSHLKSHNAPEW-UHFFFAOYSA-N
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 chloride (CHEBI:75033) has part peonidin (CHEBI:75314)
peonidin chloride (CHEBI:75033) has role antineoplastic agent (CHEBI:35610)
peonidin chloride (CHEBI:75033) has role antioxidant (CHEBI:22586)
peonidin chloride (CHEBI:75033) has role apoptosis inducer (CHEBI:68495)
peonidin chloride (CHEBI:75033) has role metabolite (CHEBI:25212)
peonidin chloride (CHEBI:75033) is a anthocyanidin chloride (CHEBI:38696)
IUPAC Name 
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium chloride
Synonyms  Source
3,4',5,7-tetrahydroxy-3'-methoxyflavylium chlorideChEBI
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chlorideKEGG COMPOUND
PeonidinKEGG COMPOUND
Manual XrefsDatabases
C08726KEGG COMPOUND
HMDB0005797HMDB
PeonidinWikipedia
Registry NumbersSources
Reaxys:3924296Reaxys
CAS:134-01-0ChemIDplus
CAS:134-01-0KEGG COMPOUND
Citations