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
Supplier Information ChemicalBook:CB4304735, ChemicalBook:CB1724246, eMolecules:538412, Selleckchem:Hesperetin, ZINC000000039092
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Formula C16H14O6
Net Charge 0
Average Mass 302.27880
Monoisotopic Mass 302.07904
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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
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 plant metabolite (CHEBI:76924)
hesperetin (CHEBI:28230) is a 3'-hydroxyflavanones (CHEBI:48024)
hesperetin (CHEBI:28230) is a 4'-methoxyflavanones (CHEBI:140332)
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
(2S)-hesperetin UniProt
(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
Manual Xrefs Databases
1362 DrugCentral
C00000968 KNApSAcK
C01709 KEGG COMPOUND
CPD-7072 MetaCyc
DB01094 DrugBank
Hesperetin Wikipedia
HMDB0005782 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 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
19 August 2020