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

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

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ChEBI ID	CHEBI:174910
ChEBI Name	4'-O-methyl-(−)-epicatechin
Stars
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.
Last Modified	22 September 2021
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H16O6
Net Charge	0
Average Mass	304.298
Monoisotopic Mass	304.09469
SMILES	[H][C@]1(c2ccc(OC)c(O)c2)Oc2cc(O)cc(O)c2C[C@H]1O
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

Species of Metabolite	Component	Source	Comments
Rattus norvegicus (ncbitaxon:10116)	urine (BTO:0001419)	PubMed (9929521)

Roles Classification

Biological Role:	rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
Application:	geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
(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'-O-methyl-epicatechin	ChemIDplus
4'-O-methylepicatechin	ChEBI
4'-methylepicatechin	ChemIDplus

Manual Xrefs	Databases
30776736	ChemSpider
HMDB0029179	HMDB

Registry Numbers	Sources
CAS:97914-20-0	ChemIDplus

Citations