3-O-Caffeoylshikimic acid (BioDeep_00000019419)

 

Secondary id: BioDeep_00000004273, BioDeep_00000397190, BioDeep_00000616437, BioDeep_00001893187

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


5-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid

化学式: C16H16O8 (336.0845)
中文名称: 5-O-咖啡酰莽草酸
谱图信息: 最多检出来源 Homo sapiens(plant) 12.61%

分子结构信息

SMILES: C1(=C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/c1ccc(c(c1)O)O)O)O)C(=O)O
InChI: InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2-

描述信息

3-O-Caffeoylshikimic acid is found in date. 3-O-Caffeoylshikimic acid is a constituent of dates (Phoenix dactylifera)
Constituent of dates (Phoenix dactylifera). 3-O-Caffeoylshikimic acid is found in date and fruits.
5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2].
5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2].

同义名列表

10 个代谢物同义名

5-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid; 5-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylate; 3-O-Caffeoylshikimic acid; 5-O-Caffeoylshikimic acid; 3-Caffeoylshikimic acid; 3-O-Caffeoylshikimate; Neodactylifric acid; Neodattelic acid; SCHEMBL2761799; 5-O-Caffeoylshikimic acid



数据库引用编号

21 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)

6 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。

亚细胞结构定位 关联基因列表


文献列表

  • Haifeng Wu, Xiaoru Hu, Xiaopo Zhang, Shilin Chen, Junshan Yang, Xudong Xu. Benzyl 2-β-glucopyranosyloxybenzoate, a new phenolic acid glycoside from Sarcandra glabra. Molecules (Basel, Switzerland). 2012 May; 17(5):5212-8. doi: 10.3390/molecules17055212. [PMID: 22628042]
  • Qing-Feng Zhang, Hon-Yeung Cheung. Development of capillary electrophoresis fingerprint for quality control of rhizoma Smilacis Glabrae. Phytochemical analysis : PCA. 2011 Jan; 22(1):18-25. doi: 10.1002/pca.1245. [PMID: 20848391]
  • Karin Radrich, Yoshimasa Tsuruoka, Paul Dobson, Albert Gevorgyan, Neil Swainston, Gino Baart, Jean-Marc Schwartz. Integration of metabolic databases for the reconstruction of genome-scale metabolic networks. BMC systems biology. 2010 Aug; 4(?):114. doi: 10.1186/1752-0509-4-114. [PMID: 20712863]
  • Chao Wang, Liping Zhu, Jingzhi Yang, Chuangjun Li, Dongming Zhang. [Chemical constituents from Sarcandra glabra]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2010 Mar; 35(6):714-7. doi: 10.4268/cjcmm20100612. [PMID: 20545194]
  • Caio G Braguine, Eveline S Costa, Lizandra G Magalhães, Vanderlei Rodrigues, Ademar A da Silva Filho, Jairo K Bastos, Márcio L A Silva, Wilson R Cunha, Ana H Januário, Patrícia M Pauletti. Schistosomicidal evaluation of Zanthoxylum naranjillo and its isolated compounds against Schistosoma mansoni adult worms. Zeitschrift fur Naturforschung. C, Journal of biosciences. 2009 Nov; 64(11-12):793-7. doi: 10.1515/znc-2009-11-1207. [PMID: 20158148]
  • Maike Petersen, Yana Abdullah, Johannes Benner, David Eberle, Katja Gehlen, Stephanie Hücherig, Verena Janiak, Kyung Hee Kim, Marion Sander, Corinna Weitzel, Stefan Wolters. Evolution of rosmarinic acid biosynthesis. Phytochemistry. 2009 Oct; 70(15-16):1663-79. doi: 10.1016/j.phytochem.2009.05.010. [PMID: 19560175]
  • Antoaneta Ivanova, Julianna Serly, Dragomir Dinchev, Imre Ocsovszki, Ivanka Kostova, Joseph Molnar. Screening of some saponins and phenolic components of Tribulus terrestris and Smilax excelsa as MDR modulators. In vivo (Athens, Greece). 2009 Jul; 23(4):545-50. doi: . [PMID: 19567388]
  • Hasan Kirmizibekmez, Ihsan Calis, Remo Perozzo, Reto Brun, Ali A Dönmez, Anthony Linden, Peter Rüedi, Deniz Tasdemir. Inhibiting activities of the secondary metabolites of Phlomis brunneogaleata against parasitic protozoa and plasmodial enoyl-ACP Reductase, a crucial enzyme in fatty acid biosynthesis. Planta medica. 2004 Aug; 70(8):711-7. doi: 10.1055/s-2004-827200. [PMID: 15326547]