4'-O-methyl-(-)-epicatechin (CHEBI:174910)

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ChEBI Name	4'-O-methyl-(−)-epicatechin

ChEBI ID	CHEBI:174910

ChEBI ASCII Name	4'-O-methyl-(-)-epicatechin

Definition	A catechin that is (−)-epicatechin in which the hydroxy group at position 4' is replaced by a methoxy group. It is a metabolite of (−)-epicatechin.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

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Formula

C16H16O6

Net Charge

Average Mass

304.298

Monoisotopic Mass

304.09469

InChI

InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1

InChIKey

ZHDMPVIDHWJGTN-CZUORRHYSA-N

SMILES

[H][C@@]1(OC2=CC(O)=CC(O)=C2C[C@H]1O)C1=CC(O)=C(OC)C=C1

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Biological Role(s):	rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

Application(s):	geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.

ChEBI Ontology
Outgoing	4'-O-methyl-(−)-epicatechin (CHEBI:174910) has functional parent (−)-epicatechin (CHEBI:90) 4'-O-methyl-(−)-epicatechin (CHEBI:174910) has role geroprotector (CHEBI:176497) 4'-O-methyl-(−)-epicatechin (CHEBI:174910) has role rat metabolite (CHEBI:86264) 4'-O-methyl-(−)-epicatechin (CHEBI:174910) is a catechin (CHEBI:23053) 4'-O-methyl-(−)-epicatechin (CHEBI:174910) is a monomethoxybenzene (CHEBI:25235) 4'-O-methyl-(−)-epicatechin (CHEBI:174910) is a polyphenol (CHEBI:26195)

IUPAC Name

(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Synonyms	Sources
(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	IUPAC
(2R,3R)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol	ChEBI
(2R-cis)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol	ChEBI
4'-methylepicatechin	ChemIDplus
4'-O-methyl-epicatechin	ChemIDplus
4'-O-methylepicatechin	ChEBI

Registry Number	Type	Source
97914-20-0	CAS Registry Number	ChemIDplus

Last Modified

22 September 2021

General Comment
2021-09-22	Relevant article: https://doi.org/10.1016/j.foodres.2011.10.014