CHEBI:28230 - hesperetin

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ChEBI Name hesperetin
ChEBI ID CHEBI:28230
Definition A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:24529, CHEBI:5681
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Formula C16H14O6
Net Charge 0
Average Mass 302.27880
Monoisotopic Mass 302.079
InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
InChIKey AIONOLUJZLIMTK-AWEZNQCLSA-N
SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing hesperetin (CHEBI:28230) has role antineoplastic agent (CHEBI:35610)
hesperetin (CHEBI:28230) has role antioxidant (CHEBI:22586)
hesperetin (CHEBI:28230) has role metabolite (CHEBI:25212)
hesperetin (CHEBI:28230) is a 3'-hydroxyflavanones (CHEBI:48024)
hesperetin (CHEBI:28230) is a monomethoxyflavanone (CHEBI:38738)
hesperetin (CHEBI:28230) is a trihydroxyflavanone (CHEBI:38739)
hesperetin (CHEBI:28230) is conjugate acid of hesperetin(1−) (CHEBI:61249)
Incoming (2S)-5,7,3'-trihydroxy-4'-methoxy-8-(3''-methylbut-2''-enyl)-flavonone (CHEBI:70018) has functional parent hesperetin (CHEBI:28230)
hesperetin 7-O-β-D-glucoside (CHEBI:59015) has functional parent hesperetin (CHEBI:28230)
hesperidin (CHEBI:28775) has functional parent hesperetin (CHEBI:28230)
neohesperidin (CHEBI:59016) has functional parent hesperetin (CHEBI:28230)
hesperetin(1−) (CHEBI:61249) is conjugate base of hesperetin (CHEBI:28230)
IUPAC Name
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
Synonyms Sources
(−)-(S)-hesperetin ChEBI
(−)-hesperetin ChEBI
(S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one ChEBI
3',5,7-Trihydroxy-4'-methoxyflavanone KEGG COMPOUND
Hesperetin KEGG COMPOUND
hesperetin UniProt
Database Links Databases
1362 DrugCentral
C00000968 KNApSAcK
C01709 KEGG COMPOUND
CPD-7072 MetaCyc
DB01094 DrugBank
Hesperetin Wikipedia
HMDB05782 HMDB
LMPK12140003 LIPID MAPS
LSM-20933 LINCS
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Registry Numbers Types Sources
520-33-2 CAS Registry Number KEGG COMPOUND
520-33-2 CAS Registry Number ChemIDplus
92705 Beilstein Registry Number Beilstein
92705 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16964766 PubMed citation Europe PMC
22409373 PubMed citation Europe PMC
22794525 PubMed citation Europe PMC
22899565 PubMed citation Europe PMC
22903244 PubMed citation Europe PMC
Last Modified
22 February 2017