hesperetin (CHEBI:28230)

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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

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.

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

Last Modified

19 August 2020