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茶黄素-3-没食子酸酯

茶黄素-3-没食子酸酯

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?茶黄素-3-没食子酸酯名称
















中文名

茶黄素-3-没食子酸酯
英文名

[(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
英文别名
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?茶黄素-3-没食子酸酯生物活性


































描述
Theaflavin-3-gallate 是一种红茶茶黄素单体,被认为是红茶生物学上重要的活性成分,有益健康。Theaflavin-3-gallate 充当促氧化剂并在癌细胞中诱导氧化应激。Theaflavin-3-gallate 可以以时间和浓度依赖性方式与还原型谷胱甘肽 (GSH) 直接反应。
相关类别



SMILES

O=C(O[C@H]1[C@@H](C(C=C2O)=CC3=C([C@@H]4[C@H](O)CC5=C(O)C=C(O)C=C5O4)C=C(O)C(O)=C3C2=O)OC6=CC(O)=CC(O)=C6C1)C7=CC(O)=C(O)C(O)=C7
参考文献

[1]. Babich H, et al. Theaflavin-3-gallate and theaflavin-3′-gallate, polyphenols in black tea with prooxidant properties. Basic Clin Pharmacol Toxicol. 2008 Jul;103(1):66-74.







?茶黄素-3-没食子酸酯物理化学性质



































密度 1.8±0.1 g/cm3
沸点 1202.8±65.0 °C at 760 mmHg
分子式 C36H28O16
分子量 716.598
闪点 382.0±27.8 °C
精确质量 716.137756
PSA 284.36000
LogP 2.45
蒸汽压 0.0±0.3 mmHg at 25°C
折射率 1.830





?茶黄素-3-没食子酸酯合成线路





















~%







茶黄素-3-没食子酸酯结构式

茶黄素-3-没食子酸酯

30462-34-1






文献:Sang, Shengmin; Lambert, Joshua D.; Tian, Shiying; Hong, Jungil; Hou, Zhe; Ryu, Jae-He; Stark, Ruth E.; Rosen, Robert T.; Huang, Mou-Tuan; Yang, Chung S.; Ho, Chi-Tang Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 2 p. 459 – 467









~%







茶黄素-3-没食子酸酯结构式

茶黄素-3-没食子酸酯

30462-34-1






文献:US2005/49284 A1, ; Page/Page column 12 ;







?茶黄素-3-没食子酸酯上下游产品











茶黄素-3-没食子酸酯上游产品? 4

茶黄素-3-没食子酸酯下游产品? 0















?茶黄素-3-没食子酸酯英文别名




































Theaflavin monogallate A


Benzoic acid, 3,4,5-trihydroxy-, 1,8-bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-4,6-dihydroxy-5-oxo-5H-benzocyclohepten-3-yl ester


benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester


theaflavin-3-gallate


Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,5-trihydroxy-6-oxo-6H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester


4,6-Dihydroxy-5-oxo-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5H-benzo[7]annulen-3-yl 3,4,5-trihydroxybenzoate


theaflavin-3′-O-gallate


(2R,3R)-5,7-Dihydroxy-2-{3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate


(2R,3R)-5,7-Dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate








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