1-O-Galloylpedunculagin (BioDeep_00000007941)

 

Secondary id: BioDeep_00000622543, BioDeep_00000897352

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate

化学式: C41H28O26 (936.0868788)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 40%

分子结构信息

SMILES: C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
InChI: InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2

描述信息

Tannin from Rubus fruticosus (blackberry) and Rubus idaeus (raspberry). 1-O-Galloylpedunculagin is found in fruits, red raspberry, and cloves.
Casuarictin is found in acorn. Casuarictin is isolated from Corylus heterophylla (Siberian filbert).

同义名列表

4 个代谢物同义名

7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate; 7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-4,17,25,38-tetraoxo-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-dodecaen-20-yl 3,4,5-trihydroxybenzoic acid; 1-O-Galloylpedunculagin; Casuarictin



数据库引用编号

14 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)

17 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

  • Marja Kähkönen, Petri Kylli, Velimatti Ollilainen, Juha-Pekka Salminen, Marina Heinonen. Antioxidant activity of isolated ellagitannins from red raspberries and cloudberries. Journal of agricultural and food chemistry. 2012 Feb; 60(5):1167-74. doi: 10.1021/jf203431g. [PMID: 22229937]
  • S Mohd Joffry, N J Yob, M S Rofiee, M M R Meor Mohd Affandi, Z Suhaili, F Othman, A Md Akim, M N M Desa, Z A Zakaria. Melastoma malabathricum (L.) Smith Ethnomedicinal Uses, Chemical Constituents, and Pharmacological Properties: A Review. Evidence-based complementary and alternative medicine : eCAM. 2012; 2012(?):258434. doi: 10.1155/2012/258434. [PMID: 22242040]
  • Juliana Rodrigues, Daniel Rinaldo, Marcelo Aparecido da Silva, Lourdes Campaner dos Santos, Wagner Vilegas. Secondary metabolites of Miconia rubiginosa. Journal of medicinal food. 2011 Jul; 14(7-8):834-9. doi: 10.1089/jmf.2010.0157. [PMID: 21480804]
  • Takashi Yoshida, Yoshiaki Amakura, Morio Yoshimura. Structural features and biological properties of ellagitannins in some plant families of the order Myrtales. International journal of molecular sciences. 2010 Jan; 11(1):79-106. doi: 10.3390/ijms11010079. [PMID: 20162003]
  • Takashi Yoshida, Hideyuki Ito, Isaza Jose Hipolito. Pentameric ellagitannin oligomers in melastomataceous plants--chemotaxonomic significance. Phytochemistry. 2005 Sep; 66(17):1972-83. doi: 10.1016/j.phytochem.2005.01.006. [PMID: 16153403]
  • H J Kim, J S Lee, E R Woo, M K Kim, B S Yang, Y G Yu, H Park, Y S Lee. Isolation of virus-cell fusion inhibitory components from Eugenia caryophyllata. Planta medica. 2001 Apr; 67(3):277-9. doi: 10.1055/s-2001-11993. [PMID: 11345703]