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

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ChEBI Name 2',4,4',6'-tetrahydroxychalcone(1−)
ChEBI ID CHEBI:77645
ChEBI ASCII Name 2',4,4',6'-tetrahydroxychalcone(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C15H11O5
Net Charge -1
Average Mass 271.24540
Monoisotopic Mass 271.06120
InChI InChI=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+
InChIKey YQHMWTPYORBCMF-ZZXKWVIFSA-M
SMILES Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2[O-])cc1
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.
(via 2',4,4',6'-tetrahydroxychalcone )
Application(s): anti-allergic agent
A drug used to treat allergic reactions.
(via 2',4,4',6'-tetrahydroxychalcone )
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
(via 2',4,4',6'-tetrahydroxychalcone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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',4,4',6'-tetrahydroxychalcone (CHEBI:15413)
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 phenolate anion (CHEBI:50525)
IUPAC Name
3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenolate
Synonym Source
2',4,4',6'-tetrahydroxychalcone UniProt
Last Modified
13 April 2017
Submitter Remark
2014-03-10 16:33:17.0 Anne Morgat Major structure at pH 7.3 (marvin 6.2.0) = Rhea normalized structure
2014-03-10 16:33:31.0 Anne Morgat Conjugate of CHEBI:15413