EPICATECHIN-4'-SULFATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H14O9S
Molecular Weight	370.331
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EPICATECHIN-4'-SULFATE

Structure Search

SMILES

O[C@@H]1CC2=C(O[C@@H]1C3=CC(O)=C(OS(O)(=O)=O)C=C3)C=C(O)C=C2O

InChI

InChIKey=YKRWCINYMPRAIG-IUODEOHRSA-N

InChI=1S/C15H14O9S/c16-8-4-10(17)9-6-12(19)15(23-14(9)5-8)7-1-2-13(11(18)3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H14O9S
Molecular Weight	370.331
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:04:21 GMT 2023` Edited by `admin` on `Sat Dec 16 08:04:21 GMT 2023`
Record UNII	4Y7WD8BN8W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPICATECHIN-4'-SULFATE

Common Name

English

(-)-EPICATECHIN 4'-SULFATE

Common Name

English

2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(3-HYDROXY-4-(SULFOOXY)PHENYL)-, (2R,3R)-

Systematic Name

English

EPICATECHIN 4'-O-SULPHATE

Common Name

English

2-HYDROXY-4-((2R,3R)-3,5,7-TRIHYDROXYCHROMAN-2-YL)PHENYL HYDROGEN SULFATE

Systematic Name

English

(2-HYDROXY-4-((2R,3R)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-CHROMEN-2-YL)PHENYL) HYDROGEN SULFATE

Systematic Name

English

Code System Code Type Description

CAS

1038922-78-9

Created by admin on Sat Dec 16 08:04:21 GMT 2023 , Edited by admin on Sat Dec 16 08:04:21 GMT 2023

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SMS_ID

300000013087

Created by admin on Sat Dec 16 08:04:21 GMT 2023 , Edited by admin on Sat Dec 16 08:04:21 GMT 2023

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EPA CompTox

DTXSID801009415

Created by admin on Sat Dec 16 08:04:21 GMT 2023 , Edited by admin on Sat Dec 16 08:04:21 GMT 2023

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FDA UNII

4Y7WD8BN8W

Created by admin on Sat Dec 16 08:04:21 GMT 2023 , Edited by admin on Sat Dec 16 08:04:21 GMT 2023

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PUBCHEM

71579043

Created by admin on Sat Dec 16 08:04:21 GMT 2023 , Edited by admin on Sat Dec 16 08:04:21 GMT 2023

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Related Record Type Details


					W2ZU1RY8B0

PARENT -> METABOLITE LESS ACTIVE

Comments:

FRAP (ferric reducing ability of plasma) assay; Unit: TEAC (Trolox equivalent antioxidant capacity)- mM-Trolox equivalent/mM; epicatechin was 1.34

Interaction Type:

IN-VITRO

Amount: