Crassicauline A (BioDeep_00000230529)

   

PANOMIX_OTCML-2023


代谢物信息卡片


[(1S,4R,5S,8R,10R,13S)-8-acetyloxy-11-ethyl-5-hydroxy-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: C35H49NO10 (643.3356294)
中文名称: 草乌甲素, 粗茎乌碱 A, 粗茎乌头碱甲, 粗茎乌头碱A, 草乌甲素
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 9.09%

分子结构信息

SMILES: CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)COC
InChI: InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1

描述信息

A diterpene alkaloid with formula C35H49NO10 that is isolated from several Aconitum species.
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
[8-Acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate is a natural product found in Aconitum episcopale with data available.
Crassicauline A (Crassicaulin A) is a bioactive alkaloid found in roots of Aconitum carmichaeli. Crassicauline A (Crassicaulin A) possesses feeding deterrent activity against T. castaneum adults with an EC50 of 1134.5 ppm[1][2].
Crassicauline A (Crassicaulin A) is a bioactive alkaloid found in roots of Aconitum carmichaeli. Crassicauline A (Crassicaulin A) possesses feeding deterrent activity against T. castaneum adults with an EC50 of 1134.5 ppm[1][2].

同义名列表

10 个代谢物同义名

Crassicauline A; [(1S,4R,5S,8R,10R,13S)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate; [8-Acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate; Aconitane-8,13,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,8-acetate 14-(4-methoxybenzoate), (1alpha,6alpha,14alpha,16beta)-; 8-(acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate; 3-Deoxyyunaconitine;Crassicaulin A; Bulleyaconitine A; Crassicauline A; Crassicauline I; Crassicauline-A; Crassicaulin A



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)

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

  • 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]
  • Xing-Long Chen, Chang-An Geng, Ji-Jun Chen. A fragmentation study on four C19-diterpenoid alkaloids by electrospray ionization ion-trap time-of-flight tandem mass spectrometry. Journal of Asian natural products research. 2015; 17(9):915-29. doi: 10.1080/10286020.2015.1038524. [PMID: 26274911]
  • 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]
  • Zhi Long Liu, Jie Cao, Hai Min Zhang, Li Li Lin, Hui Juan Liu, Shu Shan Du, Ligang Zhou, Zhi Wei Deng. Feeding deterrents from Aconitum episcopale roots against the red flour beetle, Tribolium castaneum. Journal of agricultural and food chemistry. 2011 Apr; 59(8):3701-6. doi: 10.1021/jf104879h. [PMID: 21417277]