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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H18O10
Molecular Weight 442.3723
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CATECHIN GALLATE, (+)-

SMILES

OC1=CC2=C(C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C4=CC(O)=C(O)C=C4)C(O)=C1

InChI

InChIKey=LSHVYAFMTMFKBA-PZJWPPBQSA-N
InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H18O10
Molecular Weight 442.3723
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

(+)-Catechin gallate is a polyphenol, which occurs naturally in grapes, probably in green tea leaves (trace amounts) and other plants.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:31 GMT 2023
Record UNII
78OW2GLG8Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CATECHIN GALLATE, (+)-
Common Name English
(+)-CATECHIN GALLATE
Common Name English
BENZOIC ACID, 3,4,5-TRIHYDROXY-, (2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-5,7-DIHYDROXY-2H-1-BENZOPYRAN-3-YL ESTER
Systematic Name English
(+)-CATECHIN 3-GALLATE
Common Name English
CATECHIN GALLATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID501314340
Created by admin on Sat Dec 16 08:39:31 GMT 2023 , Edited by admin on Sat Dec 16 08:39:31 GMT 2023
PRIMARY
CAS
25615-05-8
Created by admin on Sat Dec 16 08:39:31 GMT 2023 , Edited by admin on Sat Dec 16 08:39:31 GMT 2023
PRIMARY
PUBCHEM
5276454
Created by admin on Sat Dec 16 08:39:31 GMT 2023 , Edited by admin on Sat Dec 16 08:39:31 GMT 2023
PRIMARY
FDA UNII
78OW2GLG8Q
Created by admin on Sat Dec 16 08:39:31 GMT 2023 , Edited by admin on Sat Dec 16 08:39:31 GMT 2023
PRIMARY
CAS
101840-48-6
Created by admin on Sat Dec 16 08:39:31 GMT 2023 , Edited by admin on Sat Dec 16 08:39:31 GMT 2023
ALTERNATIVE
SMS_ID
300000013076
Created by admin on Sat Dec 16 08:39:31 GMT 2023 , Edited by admin on Sat Dec 16 08:39:31 GMT 2023
PRIMARY