Theogallin (BioDeep_00000395572)
Main id: BioDeep_00000008347
PANOMIX_OTCML-2023 natural product
代谢物信息卡片
化学式: C14H16O10 (344.0743)
中文名称: 茶没食子素
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: c1(c(c(cc(c1)C(=O)O[C@@H]1C[C@](C[C@H]([C@H]1O)O)(O)C(=O)O)O)O)O
InChI: InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1
描述信息
Theogallin is a gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). It is a gallate ester, a monocarboxylic acid and a tertiary alcohol. It is functionally related to a gallic acid and a (-)-quinic acid.
Theogallin is a natural product found in Quercus salicina, Ribes uva-crispa, and other organisms with data available.
同义名列表
17 个代谢物同义名
BENZOIC ACID, 3,4,5-TRIHYDROXY-, 5-CARBOXY-2,3,5-TRIHYDROXYCYCLOHEXYL ESTER, (1R-(1.ALPHA.,2.BETA.,3.BETA.,5.BETA.))-; Benzoic acid, 3,4,5-trihydroxy-, 5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R-(1alpha,2beta,3beta,5beta))-; (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(3,4,5-trihydroxyphenylcarbonyloxy)cyclohexanecarboxylic acid; (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)cyclohexane-1-carboxylic acid; (1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid; Benzoic acid, 3,4,5-trihydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester; (1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-cyclohexanecarboxylic acid; (1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexanecarboxylic acid; Quinic acid, 3-gallate; 3-O-Galloylquinic acid; 3-galloylquinic acid; 3-Galloyl quinate; UNII-N8GTS57R32; Gallotannin 20; N8GTS57R32; Theogallin; Theogallin
数据库引用编号
16 个数据库交叉引用编号
- ChEBI: CHEBI:9522
- KEGG: C10834
- PubChem: 442988
- ChEMBL: CHEMBL3233512
- Wikipedia: Theogallin
- MeSH: theogallin
- ChemIDplus: 0017365116
- KNApSAcK: C00002676
- CAS: 17365-11-6
- medchemexpress: HY-122924
- PubChem: 13017
- 3DMET: B04168
- NIKKAJI: J93.943I
- RefMet: Theogallin
- KNApSAcK: 9522
- LOTUS: LTS0007361
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
0 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
51 个相关的物种来源信息
- 4011 - Anacardiaceae: LTS0007361
- 13342 - Arbutus: LTS0007361
- 84005 - Arbutus unedo: 10.1021/JF062230O
- 84005 - Arbutus unedo: LTS0007361
- 4441 - Camellia: 10.1016/S0021-9673(01)88752-5
- 4441 - Camellia: LTS0007361
- 153142 - Camellia irrawadiensis: 10.1248/CPB.57.1284
- 153142 - Camellia irrawadiensis: LTS0007361
- 4442 - Camellia sinensis: 10.1002/MNFR.200400064
- 4442 - Camellia sinensis: 10.1248/CPB.37.3255
- 4442 - Camellia sinensis: 10.1248/CPB.40.1383
- 4442 - Camellia sinensis: 10.1271/BBB1961.46.1079
- 4442 - Camellia sinensis: LTS0007361
- 182317 - Camellia taliensis: 10.1248/CPB.57.1284
- 182317 - Camellia taliensis: LTS0007361
- 4345 - Ericaceae: LTS0007361
- 2759 - Eukaryota: LTS0007361
- 3977 - Euphorbiaceae: LTS0007361
- 179681 - Excoecaria: LTS0007361
- 3503 - Fagaceae: LTS0007361
- 3746 - Fragaria: 10.1016/S0031-9422(00)80722-0
- 3746 - Fragaria: LTS0007361
- 23066 - Grossulariaceae: LTS0007361
- 3398 - Magnoliopsida: LTS0007361
- 23461 - Mangifera: LTS0007361
- 29780 - Mangifera indica: 10.1016/J.BMC.2014.02.014
- 29780 - Mangifera indica: LTS0007361
- 13625 - Paeonia: LTS0007361
- 35924 - Paeonia lactiflora: 10.1021/NP020608G
- 35924 - Paeonia lactiflora: LTS0007361
- 24943 - Paeoniaceae: LTS0007361
- 3511 - Quercus: LTS0007361
- 103488 - Quercus salicina: 10.1016/S0031-9422(00)84112-6
- 103488 - Quercus salicina: LTS0007361
- 3801 - Ribes: LTS0007361
- 78511 - Ribes nigrum: 10.1016/S0031-9422(00)80722-0
- 78511 - Ribes nigrum: LTS0007361
- 175228 - Ribes rubrum: 10.1016/S0031-9422(00)80722-0
- 175228 - Ribes rubrum: LTS0007361
- 135518 - Ribes uva-crispa: 10.1016/S0031-9422(00)80722-0
- 135518 - Ribes uva-crispa: LTS0007361
- 3745 - Rosaceae: LTS0007361
- 23216 - Rubus: 10.1016/S0031-9422(00)80722-0
- 23216 - Rubus: LTS0007361
- 35493 - Streptophyta: LTS0007361
- 27065 - Theaceae: LTS0007361
- 58023 - Tracheophyta: LTS0007361
- 13749 - Vaccinium: LTS0007361
- 69266 - Vaccinium corymbosum: 10.1016/S0031-9422(00)80722-0
- 69266 - Vaccinium corymbosum: LTS0007361
- 33090 - Viridiplantae: LTS0007361
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有:
- PubMed: 来源于PubMed文献库中的文献信息,我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表,这个列表按照代谢物同时出现的文献数量降序排序,取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘,得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序,取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中,存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称,可以跳转到相关代谢物的信息页面。
亚细胞结构定位 | 关联基因列表 |
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文献列表
- Elizabeth Arlen Pineda-Peña, David Capistran-Amezcua, Adelfo Reyes-Ramírez, Santiago Xolalpa-Molina, Aracely Evangelina Chávez-Piña, Mario Figueroa, Andrés Navarrete. Gastroprotective effect methanol extract of Caesalpinia coriaria pods against indomethacin- and ethanol-induced gastric lesions in Wistar rats.
Journal of ethnopharmacology.
2023 Apr; 305(?):116057. doi:
10.1016/j.jep.2022.116057
. [PMID: 36574790] - Negin Seifzadeh, Mohammad Ali Sahari, Mohsen Barzegar, Hassan Ahmadi Gavlighi, Luca Calani, Daniele Del Rio, Gianni Galaverna. Evaluation of polyphenolic compounds in membrane concentrated pistachio hull extract.
Food chemistry.
2019 Mar; 277(?):398-406. doi:
10.1016/j.foodchem.2018.10.001
. [PMID: 30502163] - Chen Yang, Zhengyan Hu, Meiling Lu, Pengliang Li, Junfeng Tan, Mei Chen, Haipeng Lv, Yin Zhu, Yue Zhang, Li Guo, Qunhua Peng, Weidong Dai, Zhi Lin. Application of metabolomics profiling in the analysis of metabolites and taste quality in different subtypes of white tea.
Food research international (Ottawa, Ont.).
2018 04; 106(?):909-919. doi:
10.1016/j.foodres.2018.01.069
. [PMID: 29580004] - Wael M Abdel-Mageed, Soad A H Bayoumi, Caixia Chen, Christopher J Vavricka, Li Li, Ajamaluddin Malik, Huanqin Dai, Fuhang Song, Luoqiang Wang, Jingyu Zhang, George F Gao, Yali Lv, Lihong Liu, Xueting Liu, Hanaa M Sayed, Lixin Zhang. Benzophenone C-glucosides and gallotannins from mango tree stem bark with broad-spectrum anti-viral activity.
Bioorganic & medicinal chemistry.
2014 Apr; 22(7):2236-43. doi:
10.1016/j.bmc.2014.02.014
. [PMID: 24613627] - Yoshinori Fujimura, Kana Kurihara, Megumi Ida, Reia Kosaka, Daisuke Miura, Hiroyuki Wariishi, Mari Maeda-Yamamoto, Atsushi Nesumi, Takeshi Saito, Tomomasa Kanda, Koji Yamada, Hirofumi Tachibana. Metabolomics-driven nutraceutical evaluation of diverse green tea cultivars.
PloS one.
2011; 6(8):e23426. doi:
10.1371/journal.pone.0023426
. [PMID: 21853132] - Daiki Honma, Motoyuki Tagashira, Tomomasa Kanda, Mari Maeda-Yamamoto. Identifications of inhibitors of IgE production by human lymphocytes isolated from 'Cha Chuukanbohon Nou 6' tea leaves.
Journal of the science of food and agriculture.
2010 Jan; 90(1):168-74. doi:
10.1002/jsfa.3807
. [PMID: 20355027] - Wilfried Dimpfel. Rat electropharmacograms of the flavonoids rutin and quercetin in comparison to those of moclobemide and clinically used reference drugs suggest antidepressive and/or neuroprotective action.
Phytomedicine : international journal of phytotherapy and phytopharmacology.
2009 Apr; 16(4):287-94. doi:
10.1016/j.phymed.2009.02.005
. [PMID: 19303757] - Wilfried Dimpfel, Adolf Kler, Erwin Kriesl, Romanus Lehnfeld. Theogallin and L-theanine as active ingredients in decaffeinated green tea extract: II. Characterization in the freely moving rat by means of quantitative field potential analysis.
The Journal of pharmacy and pharmacology.
2007 Oct; 59(10):1397-403. doi:
10.1211/jpp.59.10.0010
. [PMID: 17910815] - Wilfried Dimpfel, Adolf Kler, Erwin Kriesl, Romanus Lehnfeld. Theogallin and L-theanine as active ingredients in decaffeinated green tea extract: I. electrophysiological characterization in the rat hippocampus in-vitro.
The Journal of pharmacy and pharmacology.
2007 Aug; 59(8):1131-6. doi:
10.1211/jpp.59.8.0011
. [PMID: 17725856] - W Dimpfel, A Kler, E Kriesl, R Lehnfeld, I K Keplinger-Dimpfel. Source density analysis of the human EEG after ingestion of a drink containing decaffeinated extract of green tea enriched with L-theanine and theogallin.
Nutritional neuroscience.
2007 Jun; 10(3-4):169-80. doi:
10.1080/03093640701580610
. [PMID: 18019399] - A R Rechner, E Wagner, L Van Buren, F Van De Put, S Wiseman, C A Rice-Evans. Black tea represents a major source of dietary phenolics among regular tea drinkers.
Free radical research.
2002 Oct; 36(10):1127-35. doi:
10.1080/1071576021000006707
. [PMID: 12516885]