Flaconitine (BioDeep_00000230568)

   

natural product PANOMIX_OTCML-2023


代谢物信息卡片


[(1S,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

化学式: C36H49NO12 (687.3254594)
中文名称: 乙酰乌头碱, 3-乙酰乌头碱, 新乌宁痛
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.67%

分子结构信息

SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)OC(=O)C)COC
InChI: InChI=1S/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22?,23?,24-,25?,26?,27-,28+,29?,30?,31+,33?,34-,35?,36-/m1/s1

描述信息

Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
3-Acetylaconitine is a natural product found in Aconitum kusnezoffii with data available.
Flaconitine is considered to be a NF-κB inhibitor.
Flaconitine is considered to be a NF-κB inhibitor.

同义名列表

12 个代谢物同义名

[(1S,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate; Flaconitine; 3-Acetylaconitine; [(2R,3R,5R,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate; Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 14-benzoate 3,8-diacetate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-; Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3,8-diacetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-; 3-acetylaconitine hydrobromide; Aconitine 3-monoacetate; Aconitine 3-acetate; UNII-N8Y4AH95JL; N8Y4AH95JL; Acetylaconitine



数据库引用编号

11 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

  • Yu-Jie Wang, Yan Wang, Pei Tao. Structural characterization, in vivo toxicity and biological activity of two new pyro-type diterpenoid alkaloids derived from 3-acetylaconitine. Journal of integrative medicine. 2023 Apr; ?(?):. doi: 10.1016/j.joim.2023.04.001. [PMID: 37080800]
  • Qi Wang, Jing Peng, Yang Liu, Yang Tian, Jie Li, Yao-Yao Ren, Jian Gu, Rui Tan. [Therapeutic effects of alkaloids in Tibetan medicine Bangna (Aconiti Penduli et Aconiti Flavi Radix) on osteoarthritis rats and mechanisms]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2022 Sep; 47(17):4715-4722. doi: 10.19540/j.cnki.cjcmm.20220207.704. [PMID: 36164879]
  • 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]
  • 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]
  • A Ameri. Inhibition of rat hippocampal excitability by the plant alkaloid 3-acetylaconitine mediated by interaction with voltage-dependent sodium channels. Naunyn-Schmiedeberg's archives of pharmacology. 1997 Feb; 355(2):273-80. doi: 10.1007/pl00004943. [PMID: 9050023]