Pedunculagin (BioDeep_00000182147)

   

human metabolite PANOMIX_OTCML-2023 blood metabolite


代谢物信息卡片


7,8,9,12,13,14,20,28,29,30,33,34,35-tridecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaene-4,17,25,38-tetrone

化学式: C34H24O22 (784.0759204)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 96.3%

分子结构信息

SMILES: C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
InChI: InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2

描述信息

Pedunculagin is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Pedunculagin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pedunculagin can be found in a number of food items such as cloves, rubus (blackberry, raspberry), red raspberry, and guava, which makes pedunculagin a potential biomarker for the consumption of these food products. Pedunculagin is an ellagitannin. It is formed from casuarictin via the loss of a gallate group .

同义名列表

3 个代谢物同义名

7,8,9,12,13,14,20,28,29,30,33,34,35-tridecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaene-4,17,25,38-tetrone; 7,8,9,12,13,14,20,28,29,30,33,34,35-Tridecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone; Pedunculagin



数据库引用编号

7 个数据库交叉引用编号

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)

1 个相关的物种来源信息

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。



文献列表

  • Amanda Silva Fernandes, Jefferson Hollanda Véras, Luana Santos Silva, Sara Cristina Puga, Elisa Flávia Luiz Cardoso Bailão, Matheus Gabriel de Oliveira, Clever Gomes Cardoso, Cristiene Costa Carneiro, Suzana Da Costa Santos, Lee Chen-Chen. Pedunculagin isolated from Plinia cauliflora seeds exhibits genotoxic, antigenotoxic and cytotoxic effects in bacteria and human lymphocytes. Journal of toxicology and environmental health. Part A. 2022 05; 85(9):353-363. doi: 10.1080/15287394.2021.2009947. [PMID: 34875975]
  • Min Kim, Jun Yin, In Hyeok Hwang, Dong Hui Park, Eun Kyeong Lee, Min Ji Kim, Min Won Lee. Anti-Acne Vulgaris Effects of Pedunculagin from the Leaves of Quercus mongolica by Anti-Inflammatory Activity and 5α-Reductase Inhibition. Molecules (Basel, Switzerland). 2020 May; 25(9):. doi: 10.3390/molecules25092154. [PMID: 32380665]
  • Jun Yin, Han Hyuk Kim, In Hyeok Hwang, Dong Hee Kim, Min Won Lee. Anti-Inflammatory Effects of Phenolic Compounds Isolated from Quercus Mongolica Fisch. ex Ledeb. on UVB-Irradiated Human Skin Cells. Molecules (Basel, Switzerland). 2019 Aug; 24(17):. doi: 10.3390/molecules24173094. [PMID: 31454971]
  • Rangel Moreira Silva, Luciane Dias Pereira, Jefferson Hollanda Véras, Camila Regina do Vale, Lee Chen-Chen, Suzana da Costa Santos. Protective effect and induction of DNA repair by Myrciaria cauliflora seed extract and pedunculagin on cyclophosphamide-induced genotoxicity. Mutation research. Genetic toxicology and environmental mutagenesis. 2016 Nov; 810(?):40-47. doi: 10.1016/j.mrgentox.2016.10.001. [PMID: 27776690]
  • Tian-Peng Yin, Le Cai, Yang Chen, Ying Li, Ya-Rong Wang, Chuan-Shui Liu, Zhong-Tao Ding. Tannins and Antioxidant Activities of the Walnut (Juglans regia) Pellicle. Natural product communications. 2015 Dec; 10(12):2141-4. doi: . [PMID: 26882685]