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CHEBI:77645 - 2',4,4',6'-tetrahydroxychalcone(1−)

ChEBI IDCHEBI:77645
ChEBI Name2',4,4',6'-tetrahydroxychalcone(1−)
Stars
ASCII Name2',4,4',6'-tetrahydroxychalcone(1-)
DefinitionA phenolate anion that is the conjugate base of 2',4,4',6'-tetrahydroxychalcone, obtained by deprotonation of the phenolic hydroxy group at position 2'; major species at pH 7.3.
Last Modified16 May 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC15H11O5
Net Charge-1
Average Mass271.248
Monoisotopic Mass271.06120
SMILESO=C(/C=C/c1ccc(O)cc1)c1c([O-])cc(O)cc1O
InChIInChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/p-1/b6-3+
InChIKeyYQHMWTPYORBCMF-ZZXKWVIFSA-M
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
anti-allergic agent  A drug used to treat allergic reactions.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
anti-allergic agent  A drug used to treat allergic reactions.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
2',4,4',6'-tetrahydroxychalcone(1−) (CHEBI:77645) has role anti-allergic agent (CHEBI:50857)
2',4,4',6'-tetrahydroxychalcone(1−) (CHEBI:77645) has role anti-inflammatory agent (CHEBI:67079)
2',4,4',6'-tetrahydroxychalcone(1−) (CHEBI:77645) has role metabolite (CHEBI:25212)
2',4,4',6'-tetrahydroxychalcone(1−) (CHEBI:77645) is a 2-acyl-4-prenylphloroglucinol(1−) (CHEBI:134371)
2',4,4',6'-tetrahydroxychalcone(1−) (CHEBI:77645) is a 2',4,4',6'-tetrahydroxychalcone (CHEBI:15413)
2',4,4',6'-tetrahydroxychalcone(1−) (CHEBI:77645) is a phenolate anion (CHEBI:50525)
IUPAC Name 
3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenolate