Chalepin acetate (BioDeep_00000002794)

 

Secondary id: BioDeep_00000406802, BioDeep_00001869295

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


2-[6-(2-Methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetic acid

化学式: C21H24O5 (356.1623654)
中文名称: 芸香呋喃香豆醇乙酸酯
谱图信息: 最多检出来源 Viridiplantae(plant) 34.77%

分子结构信息

SMILES: C=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)OC(C)=O)C3
InChI: InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3

描述信息

Chalepin acetate is found in herbs and spices. Chalepin acetate is a constituent of Ruta graveolens (rue)

同义名列表

9 个代谢物同义名

2-[6-(2-Methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetic acid; 2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate; 2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate; 2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate; Chalepin acetic acid; Chalepin acetate; (+)-Rutamarin; Rutamarin; Rutamarin



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)

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

  • Aldo Fabio Bazaldúa-Rodríguez, Ramiro Quintanilla-Licea, María Julia Verde-Star, Magda Elizabeth Hernández-García, Javier Vargas-Villarreal, Jesús Norberto Garza-González. Furanocoumarins from Ruta chalepensis with Amebicide Activity. Molecules (Basel, Switzerland). 2021 Jun; 26(12):. doi: 10.3390/molecules26123684. [PMID: 34208750]
  • Yongsheng Lin, Qian Wang, Qiong Gu, Hongao Zhang, Cheng Jiang, Jiayuan Hu, Yan Wang, Yuan Yan, Jun Xu. Semisynthesis of (-)-Rutamarin Derivatives and Their Inhibitory Activity on Epstein-Barr Virus Lytic Replication. Journal of natural products. 2017 01; 80(1):53-60. doi: 10.1021/acs.jnatprod.6b00415. [PMID: 28093914]
  • Ulrike Grienke, Judit Mihály-Bison, Daniela Schuster, Taras Afonyushkin, Markus Binder, Shu-hong Guan, Chun-ru Cheng, Gerhard Wolber, Hermann Stuppner, De-an Guo, Valery N Bochkov, Judith M Rollinger. Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum. Bioorganic & medicinal chemistry. 2011 Nov; 19(22):6779-91. doi: 10.1016/j.bmc.2011.09.039. [PMID: 22014750]
  • Judith M Rollinger, Daniela Schuster, Birgit Danzl, Stefan Schwaiger, Patrick Markt, Michaela Schmidtke, Jürg Gertsch, Stefan Raduner, Gerhard Wolber, Thierry Langer, Hermann Stuppner. In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens. Planta medica. 2009 Feb; 75(3):195-204. doi: 10.1055/s-0028-1088397. [PMID: 19096995]
  • Aleksandra Orlita, Matylda Sidwa-Gorycka, Jolanta Kumirska, Edmund Maliński, Ewa M Siedlecka, Jerzy Gajdus, Ewa Lojkowska, Piotr Stepnowski. Identification of Ruta graveolens L. metabolites accumulated in the presence of abiotic elicitors. Biotechnology progress. 2008 Jan; 24(1):128-33. doi: 10.1021/bp070261d. [PMID: 18052337]