deoxyaconitine (BioDeep_00000230520)

   

natural product PANOMIX_OTCML-2023


代谢物信息卡片


Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

化学式: C34H47NO10 (629.3199802)
中文名称: 脱氧乌头碱, 3-脱氧乌头碱
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 96.15%

分子结构信息

SMILES: CCN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)COC
InChI: InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1

描述信息

A diterpene alkaloid with formula C34H47NO10 that is isolated from several Aconitum species.
3-Deoxyaconitine is a natural product found in Aconitum polyschistum, Aconitum flavum, and other organisms with data available.
3-Deoxyaconitine a diterpenoid alkaloid, is a sodium channel activator[1].
3-Deoxyaconitine a diterpenoid alkaloid, is a sodium channel activator[1].

同义名列表

4 个代谢物同义名

deoxyaconitine; Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-; Aconitine, deoxy-; 3-Deoxyaconitine



数据库引用编号

12 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)

3 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

  • Xianfeng Liu, Honglin Tao, Ruimin Tian, Wenge Huang, Tao Zhang, Yue Liu, Yi Zhang, Xianli Meng. Hezi inhibits Tiebangchui-induced cardiotoxicity and preserves its anti-rheumatoid arthritis effects by regulating the pharmacokinetics of aconitine and deoxyaconitine. Journal of ethnopharmacology. 2023 Feb; 302(Pt A):115915. doi: 10.1016/j.jep.2022.115915. [PMID: 36375646]
  • Yunpeng Fan, Yuede Jiang, Jianjun Liu, Yongxiang Kang, Ruiqiao Li, Jingyu Wang. The anti-tumor activity and mechanism of alkaloids from Aconitum szechenyianum Gay. Bioorganic & medicinal chemistry letters. 2016 Jan; 26(2):380-387. doi: 10.1016/j.bmcl.2015.12.006. [PMID: 26711147]
  • Bingya Jiang, Sheng Lin, Chenggen Zhu, Sujuan Wang, Yanan Wang, Minghua Chen, Jianjun Zhang, Jinfeng Hu, Naihong Chen, Yongchun Yang, Jiangong Shi. Diterpenoid alkaloids from the lateral root of Aconitum carmichaelii. Journal of natural products. 2012 Jun; 75(6):1145-59. doi: 10.1021/np300225t. [PMID: 22607495]
  • Yujie Wang, Jing Zhang, Huiping Tian, Chenjuan Zeng, Zhe Yao, Yi Zhang. [Study on processing principle of Aconitum pendulum]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2010 Mar; 35(5):588-92. doi: 10.4268/cjcmm20100510. [PMID: 20506817]
  • Zhaohong Wang, Jiao Wen, Junbo Xing, Ye He. Quantitative determination of diterpenoid alkaloids in four species of Aconitum by HPLC. Journal of pharmaceutical and biomedical analysis. 2006 Mar; 40(4):1031-4. doi: 10.1016/j.jpba.2005.08.012. [PMID: 16181762]