agrimoniin (BioDeep_00000003724)

 

Secondary id: BioDeep_00000175791

natural product 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[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl) 2-[5-[(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)oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate

化学式: C82H54O52 (1870.1581084)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C=C5C(=O)OC6C7C(C8C(O6)COC(=O)C9=CC(=C(C(=C9C2=C(C(=C(C=C2C(=O)O8)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O7)O)O)O)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O
InChI: InChI=1S/C82H54O52/c83-24-1-14(71(112)133-81-69-67(129-76(117)19-7-29(88)50(98)59(107)41(19)43-21(78(119)131-69)9-31(90)52(100)61(43)109)65-35(125-81)12-122-72(113)15-3-25(84)46(94)55(103)37(15)39-17(74(115)127-65)5-27(86)48(96)57(39)105)2-34(45(24)93)124-64-23(11-33(92)54(102)63(64)111)80(121)134-82-70-68(130-77(118)20-8-30(89)51(99)60(108)42(20)44-22(79(120)132-70)10-32(91)53(101)62(44)110)66-36(126-82)13-123-73(114)16-4-26(85)47(95)56(104)38(16)40-18(75(116)128-66)6-28(87)49(97)58(40)106/h1-11,35-36,65-70,81-111H,12-13H2

描述信息

同义名列表

3 个代谢物同义名

agrimoniin; (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) 2-[5-[(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)oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate; alpha-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4,5,5,6,6-hexahydroxy(1,1-biphenyl)-2,2-dicarboxylate) 1-(2-(5-(((2,3:4,6-bis-O-((4,4,5,5,6,6-hexahydroxy(1,1-biphenyl)-2,2-diyl)dicarbonyl)-alpha-D-glucopyranosyl)oxy)carbonyl)-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoate), stereoisomer



数据库引用编号

15 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)

11 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

  • Xiongfei Zhang, Jianping Chen, Beili Xi, Yutong Liu, Shaojun Wang, Ling Gu, Huanhuan Zhao, Li Tao, Yang Hua, Yan Wang, Meijuan Chen. Agrimoniin is a dual inhibitor of AKT and ERK pathways that inhibit pancreatic cancer cell proliferation. Phytotherapy research : PTR. 2023 May; ?(?):. doi: 10.1002/ptr.7867. [PMID: 37156642]
  • Elżbieta Karlińska, Beata Romanowska, Monika Kosmala. The Aerial Parts of Agrimonia procera Wallr. and Agrimonia eupatoria L. as a Source of Polyphenols, and Especially Agrimoniin and Flavonoids. Molecules (Basel, Switzerland). 2021 Dec; 26(24):. doi: 10.3390/molecules26247706. [PMID: 34946788]
  • Joanna Milala, Monika Kosmala, Elżbieta Karlińska, Jerzy Juśkiewicz, Zenon Zduńczyk, Bartosz Fotschki. Ellagitannins from Strawberries with Different Degrees of Polymerization Showed Different Metabolism through Gastrointestinal Tract of Rats. Journal of agricultural and food chemistry. 2017 Dec; 65(49):10738-10748. doi: 10.1021/acs.jafc.7b04120. [PMID: 29143528]
  • Daniel M Grochowski, Krystyna Skalicka-Woźniak, Ilkay Erdogan Orhan, Jianbo Xiao, Marcello Locatelli, Jakub P Piwowarski, Sebastian Granica, Michał Tomczyk. A comprehensive review of agrimoniin. Annals of the New York Academy of Sciences. 2017 08; 1401(1):166-180. doi: 10.1111/nyas.13421. [PMID: 28731232]
  • Nina I Kashchenko, Nadezhda K Chirikova, Daniil N Olennikov. Agrimoniin, an Active Ellagitannin from Comarum palustre Herb with Anti-α-Glucosidase and Antidiabetic Potential in Streptozotocin-Induced Diabetic Rats. Molecules (Basel, Switzerland). 2017 Jan; 22(1):. doi: 10.3390/molecules22010073. [PMID: 28045450]
  • Jakub P Piwowarski, Sebastian Granica, Joanna Stefańska, Anna K Kiss. Differences in Metabolism of Ellagitannins by Human Gut Microbiota ex Vivo Cultures. Journal of natural products. 2016 Dec; 79(12):3022-3030. doi: 10.1021/acs.jnatprod.6b00602. [PMID: 28006907]
  • Marco Fumagalli, Enrico Sangiovanni, Urska Vrhovsek, Stefano Piazza, Elisa Colombo, Mattia Gasperotti, Fulvio Mattivi, Emma De Fabiani, Mario Dell'Agli. Strawberry tannins inhibit IL-8 secretion in a cell model of gastric inflammation. Pharmacological research. 2016 09; 111(?):703-712. doi: 10.1016/j.phrs.2016.07.028. [PMID: 27473819]
  • Julia Hoffmann, Federica Casetti, Ute Bullerkotte, Birgit Haarhaus, Jan Vagedes, Christoph M Schempp, Ute Wölfle. Anti-Inflammatory Effects of Agrimoniin-Enriched Fractions of Potentilla erecta. Molecules (Basel, Switzerland). 2016 Jun; 21(6):. doi: 10.3390/molecules21060792. [PMID: 27322232]
  • Sebastian Granica, Holger Kluge, Gert Horn, Adam Matkowski, Anna K Kiss. The phytochemical investigation of Agrimonia eupatoria L. and Agrimonia procera Wallr. as valid sources of Agrimoniae herba--The pharmacopoeial plant material. Journal of pharmaceutical and biomedical analysis. 2015 Oct; 114(?):272-9. doi: 10.1016/j.jpba.2015.05.027. [PMID: 26092224]
  • Izabela Fecka, Alicja Zofia Kucharska, Adam Kowalczyk. Quantification of tannins and related polyphenols in commercial products of tormentil (Potentilla tormentilla). Phytochemical analysis : PCA. 2015 Sep; 26(5):353-66. doi: 10.1002/pca.2570. [PMID: 26047031]
  • Agnieszka Bazylko, Jakub P Piwowarski, Agnieszka Filipek, Jessica Bonarewicz, Michał Tomczyk. In vitro antioxidant and anti-inflammatory activities of extracts from Potentilla recta and its main ellagitannin, agrimoniin. Journal of ethnopharmacology. 2013 Aug; 149(1):222-7. doi: 10.1016/j.jep.2013.06.026. [PMID: 23811215]
  • Izabela Fecka. Development of chromatographic methods for determination of agrimoniin and related polyphenols in pharmaceutical products. Journal of AOAC International. 2009 Mar; 92(2):410-8. doi: . [PMID: 19485199]
  • Andrea Hrenn, Thomas Steinbrecher, Andreas Labahn, Joseph Schwager, Christoph M Schempp, Irmgard Merfort. Plant phenolics inhibit neutrophil elastase. Planta medica. 2006 Oct; 72(12):1127-31. doi: 10.1055/s-2006-946700. [PMID: 17024589]
  • T Murayama, N Kishi, R Koshiura, K Takagi, T Furukawa, K Miyamoto. Agrimoniin, an antitumor tannin of Agrimonia pilosa Ledeb., induces interleukin-1. Anticancer research. 1992 Sep; 12(5):1471-4. doi: ". [PMID: 1444208]
  • K Miyamoto, N Kishi, R Koshiura. Antitumor effect of agrimoniin, a tannin of Agrimonia pilosa Ledeb., on transplantable rodent tumors. Japanese journal of pharmacology. 1987 Feb; 43(2):187-95. doi: 10.1254/jjp.43.187. [PMID: 3573425]