Rutaevin (BioDeep_00000000417)

   

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione

化学式: C26H30O9 (486.189)
中文名称: 吴茱萸苦素
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 71.6%

分子结构信息

SMILES: CC1(C)OC2CC(=O)OCC23C1C(=O)C(O)C1(C)C3CCC2(C)C(c3ccco3)OC(=O)C3OC321
InChI: InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1

描述信息

Rutaevin is a steroid lactone.
Rutaevin is a natural product found in Fagaropsis angolensis, Tetradium glabrifolium, and other organisms with data available.

同义名列表

6 个代谢物同义名

(1R,2R,7S,10R,12R,13S,14R,16S,19S,20S)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione; 12-(Furan-3-yl)-8-hydroxy-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[c]pyrano[4,3:2,3]furo[3,4:5,6]naphtho[1,2-d]pyran-3,7,10(8H,9aH)-trionato; Evodinone; Rutaevin; AC1L9BP1; Rutaevin



数据库引用编号

18 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)

34 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

  • Jie Pan, Chutian Wu, Rong Tan, Yufen Liao, Guode Zhao, Wei Li, Ying Peng, Weiwei Li, Jiang Zheng. Difference in hepatotoxicity of furan-containing components in cortex dictamni correlates the efficiency of their metabolic activation. Phytomedicine : international journal of phytotherapy and phytopharmacology. 2023 Mar; 114(?):154778. doi: 10.1016/j.phymed.2023.154778. [PMID: 36996529]
  • Yutao Liu, Chang Liu, Yamei Liu, Quanli Ge, Chen Sun. Cytochrome P450 Mediated Bioactivation of Rutaevin, a Bioactive and Potentially Hepatotoxic Component of Evodia Rutaecarpa. Chemical research in toxicology. 2020 12; 33(12):3054-3064. doi: 10.1021/acs.chemrestox.0c00475. [PMID: 33305580]
  • Taijun Yin, Guanyi Yang, Yong Ma, Beibei Xu, Ming Hu, Ming You, Song Gao. Developing an activity and absorption-based quality control platform for Chinese traditional medicine: Application to Zeng-Sheng-Ping(Antitumor B). Journal of ethnopharmacology. 2015 Aug; 172(?):195-201. doi: 10.1016/j.jep.2015.06.019. [PMID: 26099633]
  • Xiaolong Tang, Zhifang Huang, Yan Chen, Yunhua Liu, Yuhong Liu, Junning Zhao, Jinhai Yi. Simultaneous determination of six bioactive compounds in Evodiae Fructus by high-performance liquid chromatography with diode array detection. Journal of chromatographic science. 2014 Feb; 52(2):149-56. doi: 10.1093/chromsci/bms261. [PMID: 23377650]
  • Jeong Seon Yoon, Sang Hyun Sung, Young Choong Kim. Neuroprotective limonoids of root bark of Dictamnus dasycarpus. Journal of natural products. 2008 Feb; 71(2):208-11. doi: 10.1021/np070588o. [PMID: 18198838]