5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

Base Information

• Chemical Name: 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
• CAS No.: 84650-60-2
• Molecular Formula: C17H19N3O
• Molecular Weight: 458.37200
• Hs Code.: 2101200040
• European Community (EC) Number: 283-519-7
• DSSTox Substance ID: DTXSID00859570
• Nikkaji Number: J948.157E
• Wikidata: Q104200389
• Pharos Ligand ID: 8G9B9P4K9NDU
• Metabolomics Workbench ID: 130503
• ChEMBL ID: CHEMBL311663
• Mol file: 84650-60-2.mol

Synonyms:84650-60-2;5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate;Tea, ext.;[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;107965-88-8;CHEMBL311663;5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate;5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate;(-)-Gallocatechin 3-O-gallate;epigallocatechol-3-gallate;(+)-epigallocatechin gallate;SCHEMBL161547;ChEMBL_134784;DTXSID00859570;CHEBI:182308;HMS3393K21;HMS3426I15;HMS3651I16;HMS3868K03;BCP28205;BBL033816;BDBM50093882;STL372995;AKOS025248011;CCG-269314;NCGC00095722-01;VS-12292;FT-0604392;FT-0686614;E80553;(?)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate;B0005-465433;(?)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate;[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate;2-(3,4,5-Trihydroxyphenyl)-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-1-benzopyran-5,7-diol;3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester

Chemical Property of 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

Chemical Property:

• Appearance/Colour: Yellow Powder
• Vapor Pressure: 3.71E-35mmHg at 25°C
• Refractive Index: 1.857
• Boiling Point: 909.1°C at 760 mmHg
• Flash Point: 320°C
• PSA: 197.37000
• Density: 1.9g/cm3
• LogP: 2.23320
• Storage Temp.: -20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 458.08491139
• Heavy Atom Count: 33
• Complexity: 667

Purity/Quality:

98%, ^*data from raw suppliers

TeaPolyphenol(TP98) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
• Description: The phenolic compounds in tea (tea polyphenols) are also known as catechins. In green tea, the four major catechins are (-)-epigallocatechin-3-gallate (EGCG) and its derivatives including (-)-epigallocatechin (EGC), (-)-epicatechin gallate (ECG), and (-)-epicatechin (EC). EGCG takes around 50-80% of the total catechin in green tea and it has been shown to be responsible for much of the health promoting ability of green tea.Tea polyphenols exhibit anti-carcinogenic, anti-oxidative, anti-allergic, antiviral, anti-hypertensive, anti-atherosclerosis, anti-cardiovascular disease and anti-hypercholesterolemic activities. EGCG has shown to inhibit hepatitis C virus entry and carcinogenesis. Studies suggest that tea polyphenols may help treat health conditions including atherosclerosis, high cholesterol, and cancers including bladder cancer, breast cancer, ovarian cancer, colorectal cancer, esophageal cancer, lung cancer, pancreatic cancer, prostate cancer, skin cancer, and stomach cancer. Tea polyphenols could be helpful in treating inflammatory diseases.
• Uses: green tea extract (Camellia sinensis L.) is a powerful anti-oxidant because of its catechin content, it is also known to be an antibacterial, anti-inflammatory, and a stimulant. In clinical studies, green tea demonstrates an ability to prevent or at least postpone the onset of such illnesses as cancer and heart disease. This is attributed to the catechin component’s ability to penetrate into a cell, thereby protecting the cell from free radicals and associated damage. Because of its anti-oxidant properties, green tea is usually incorporated into anti-aging formulations. When applied topically, it can also reduce skin swelling. In addition, it can be found in sunscreens, given its ability to extend the product’s SPF. The extract and its associated catechins can be obtained from both the plant and its dried leaves. other constituents of green tea include caffeine and phenolic acids.