Theogallin (BioDeep_00000008347)

 

Secondary id: BioDeep_00000395571, BioDeep_00000395572

human metabolite PANOMIX_OTCML-2023 natural product PANOMIX_OTCML-2025


Metabolite Card


1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid

  Formula: C14H16O10 (344.0743)
Chinese Names: 3-没食子酰基奎宁酸
  Spectrum Hits: Top Source Chinese Herbal Medicine(otcml) 29.04%

Molecular Structure

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


Description

Theogallin is found in blackcurrant. Theogallin is isolated from tea.

Synonyms

6 synonym names

1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid; 1,3,4-Trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylate; 3-O-Galloylquinic acid; 3-galloylquinic acid; Theogallin; Theogallin



Cross Reference

19 cross reference id

Classification Terms

Related Pathways

Reactome(0)

BioCyc(0)

PlantCyc(0)

Biological Process

0 related biological process reactions.

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

85 organism taxonomy source information

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。

Sub-cellular location Genes


Literature Reference

  • 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]