isoaconitine (BioDeep_00000230540)

 

Secondary id: BioDeep_00000254382

PANOMIX_OTCML-2023


代谢物信息卡片


[8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

化学式: C35H49NO11 (659.3305444)
中文名称: 乌纳可尼丁, 滇乌头碱, 滇乌碱
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 73.17%

分子结构信息

SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)O)COC
InChI: InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3



数据库引用编号

7 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

  • Hui-Xia Zhou, Huan Liu, Xue Han, Sheng-Jie Nie, Rong-Ping Zhang, Jian-Yun Yu, Shu-Hua Li. Application of UPLC-QTOF-MS in Analysis of Non-targeted Urine Metabolomics in Rats with Yunaconitine Poisoning. Fa yi xue za zhi. 2021 Oct; 37(5):653-660. doi: 10.12116/j.issn.1004-5619.2020.301003. [PMID: 35187917]
  • Jianshe Ma, Xianqin Wang. Development of a simple and rapid UPLC-MS/MS method for determination of 8-deacetyl-yunaconitine in rat plasma and its application to pharmacokinetics. Journal of pharmaceutical and biomedical analysis. 2021 Feb; 195(?):113894. doi: 10.1016/j.jpba.2021.113894. [PMID: 33453568]
  • Xue Fan, Shan-Shan Yin, Xue-Jing Li, Kui Yang, Liang Xu, Ke Lan. Hydroxylation Metabolisms of Crassicauline A in Rats Under Toxic Dose. European journal of drug metabolism and pharmacokinetics. 2017 Oct; 42(5):857-869. doi: 10.1007/s13318-017-0408-z. [PMID: 28276004]
  • Thomas Y K Chan. Aconitum Alkaloid Poisoning Because of Contamination of Herbs by Aconite Roots. Phytotherapy research : PTR. 2016 Jan; 30(1):3-8. doi: 10.1002/ptr.5495. [PMID: 26481590]
  • Zhi-jun Guo, Zhu-ya Yang, Wen-hong Tan, Zhi-hong Zhou, Xiao-xia Ma. [Chemical Constituents from Processed Products of Aconitum Vilmoriniani Radix]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2015 May; 38(5):988-91. doi: . [PMID: 26767293]
  • Xi-Kai Shu, Jia Li, Feng Liu, Xiao-Jing Lin, Xiao Wang, Chun-Xia Song. Accelerated solvent extraction and pH-zone-refining counter-current chromatographic purification of yunaconitine and 8-deacetylyunaconitine from Aconitum vilmorinianum Kom. Journal of separation science. 2013 Aug; 36(16):2680-5. doi: 10.1002/jssc.201300472. [PMID: 23784883]
  • Long Song, Hong Zhang, Xin Liu, Zhi-Li Zhao, Shi-Lin Chen, Zheng-Tao Wang, Hong-Xi Xu. Rapid determination of yunaconitine and related alkaloids in aconites and aconite-containing drugs by ultra high-performance liquid chromatography-tandem mass spectrometry. Biomedical chromatography : BMC. 2012 Dec; 26(12):1567-74. doi: 10.1002/bmc.2733. [PMID: 22430312]
  • Karen Ka-Wing Chung, Sammy Pak-Lam Chen, Sau-Wah Ng, Tony Wing-Lai Mak, Kelvin Sze-Yin Leung. Measurement of yunaconitine and crassicauline A in small-volume blood serum samples by LC-MS/MS: tracing of aconite poisoning in clinical diagnosis. Talanta. 2012 Aug; 97(?):491-8. doi: 10.1016/j.talanta.2012.05.004. [PMID: 22841113]
  • Feng Gao, Qiao-Hong Chen, Feng-Peng Wang. C19-diterpenoid alkaloids from Aconitum hemsleyanum var. circinatum. Journal of natural products. 2007 May; 70(5):876-9. doi: 10.1021/np0700117. [PMID: 17432903]
  • Chi-Kong Lai, Wing-Tat Poon, Yan-Wo Chan. Hidden aconite poisoning: identification of yunaconitine and related aconitum alkaloids in urine by liquid chromatography-tandem mass spectrometry. Journal of analytical toxicology. 2006 Sep; 30(7):426-33. doi: 10.1093/jat/30.7.426. [PMID: 16959134]
  • Le Cai, Dong-Lin Chen, Shuang-Yong Liu, Feng-Peng Wang. New C19-diterpenoid alkaloids from Aconitum piepunense. Chemical & pharmaceutical bulletin. 2006 Jun; 54(6):779-81. doi: 10.1248/cpb.54.779. [PMID: 16755043]
  • X Ma, S Jiang, D Zhu. [Diterpenoid alkaloids from Aconitum bulleyanum Diels]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 1998 Nov; 23(11):679-80, 703. doi: . [PMID: 11599346]