ChemicalBook--->CAS DataBase List--->4233-96-9

4233-96-9

4233-96-9 Structure

4233-96-9 Structure
IdentificationMore
[Name]

(-)-Gallocatechin gallate
[CAS]

4233-96-9
[Synonyms]

[2S,3R]-2-[3,4,5-TRIHYDROXYPHENYL]-3,4-DIHYDRO-1[2H]-BENZOPYRAN-3,5,7-TRIOL 3-[3,4,5-TRIHYDROXYBENZOATE
(-)-GALLOCATECHIN GALLATE
GALLOCATECHIN GALLATE
GALLOCATECHIN GALLATE, (-)-
(-)-GCG
(-)-gallocatecholgallate
(2s-trans)-henyl)-2h-1-benzopyran-3-yleste
benzoicacid,3,4,5-trihydroxy-,3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyp
(−
)-Gallocatechin gallate
(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate)
(-)-gallocatechin gallate from green tea
Gallocatechin gallate (-GCG)
(-)-Gallocatechin gallate
GCG,Gallocatechingallate
(2R)-2,3-Dihydro-2α-(3,4,5-trihydroxyphenyl)-3β-(galloyloxy)-4H-1-benzopyran-5,7-diol
3,4,5-Trihydroxybenzoic acid [[(2R)-3,4-dihydro-5,7-dihydroxy-2α-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran]-3β-yl] ester
(2S)-2-(3,4,5-Trihydroxyphenyl)-3α-(galloyloxy)-5,7-dihydroxychroman
(2S)-3,4-Dihydro-2β-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3α,5,7-triol 3-(3,4,5-trihydroxybenzoate)
(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol
3,4,5-Trihydroxybenzoic acid (2S,3R)-2-(3,4,5-trihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl ester
[EINECS(EC#)]

636-979-1
[Molecular Formula]

C22H18O11
[MDL Number]

MFCD00214298
[Molecular Weight]

458.37
[MOL File]

4233-96-9.mol
Chemical PropertiesBack Directory
[Melting point ]

>179oC (dec.)
[Boiling point ]

909.1±65.0 °C(Predicted)
[density ]

1.90±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

7.75±0.25(Predicted)
[color ]

Off-White to Pale Brown
[biological source]

green tea
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
[InChIKey]

WMBWREPUVVBILR-NQIIRXRSSA-N
[SMILES]

Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c4cc(O)c(O)c(O)c4
[LogP]

2.080 (est)
[CAS DataBase Reference]

4233-96-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

DH9000000
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, soluble in organic solvents such as methanol, ethanol, DMSO, etc., derived from tea.
[Uses]

(-)-Gallocatechin Gallate is a catechins found in green tea that has shown to suppress the activity of cytochrome P 450 1A1.
[Definition]

ChEBI: (-)-gallocatechin gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, a human xenobiotic metabolite, an antineoplastic agent and a plant metabolite. It is a gallate ester, a polyphenol and a catechin. It is functionally related to a (-)-gallocatechin and a gallic acid. It is an enantiomer of a (+)-gallocatechin gallate.
[Biological Activity]

Tea catechins like (-)-Gallocatechin gallate are known to have antiviralantioxidativeantimutagenic and antiobesity activities. It exhibits human immunodeficiency virus-1 (HIV-1) integrase inhibitory activity by disturbing the interaction between the human immunodeficiency virus-1 (HIV-1) integrase and virus DNA. GCG also shows impeding effect on the release of vero toxins (VTs) by enterohemorrhagic Escherichia coli. It displays an inhibitory effect on cholesterol absorption and is reported to be more effective than tea catechins in lowering plasma cholesterolthus preventing atherosclerosis.
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-Gallocatechin gallate(4233-96-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4233-96-9(sigmaaldrich)
4233-96-9 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Chembest Research Laboratories Limited  
Telephone: 021-20908456
Website: www.biochembest.com
Company Name: Beijing HwrkChemical Technology Co., Ltd  
Telephone: 89508211 18501085097
Website: http://www.hwrkchemical.com
Company Name: Beijing Isomersyn Technology CO;LTD  
Telephone: 010-82954736 13391601435
Website: www.chemicalbook.com/supplier/10680452/1.htm
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Sichuan Kulinan Technology Co., Ltd  
Telephone: 400-1166-196 18981987031
Website: http://www.hx-r.com/
Company Name: Tianjin heowns Biochemical Technology Co., Ltd.  
Telephone: 400 638 7771
Website: www.heowns.com
Company Name: Sinopharm Chemical Reagent Co,Ltd.  
Telephone: 86-21-63210123
Website: www.reagent.com.cn
Company Name: Aktin Chemicals, Inc.   
Telephone: 86-28-85159085
Website: www.aktinchem.com
Company Name: Shenzhen Sungening Bio-Tech Co., Ltd  
Telephone: +86-0755-89668383
Website: www.sungening.com/en
Company Name: Dalian Meilun Biotech Co., Ltd.  
Telephone: 0411-62910999 13889544652
Website: http://www.meilunbio.com/
Company Name: ShangHai YuanYe Biotechnology Co., Ltd.  
Telephone: 15026964105
Website: www.shyuanye.com
Company Name: Chengdu Ai Keda Chemical Technology Co., Ltd.  
Telephone: 4008-755-333 18080918076
Website: http://www.aikeshiji.com
Company Name: Chengdu Biopurify Phytochemicals Ltd.  
Telephone: +86-028-82633397 18982077548
Website: http://www.biopurify.cn
Company Name: Chengdu Climax Biotech Co., Ltd.  
Telephone: 028-83311324 1278112614
Website: www.climax-biotech.com
Company Name: Shanghai Winherb Medical Technology Co., Ltd.  
Telephone: 17301719108 13341702378
Website: www.winherb.cn
Company Name: Beijing HuaMeiHuLiBiological Chemical   
Telephone: 010-56205725
Website: www.huabeibiochem.com
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Tags:4233-96-9 Related Product Information
99-24-1 149-91-7 79-01-6 121-79-9 87-66-1 1087-26-9 970-73-0 1034-01-1 831-61-8 108-73-6 5995-86-8 989-51-5 18829-70-4 4233-96-9