Isaconitine (BioDeep_00000230477)

 

Secondary id: BioDeep_00000176580, BioDeep_00000245971

PANOMIX_OTCML-2023


代谢物信息卡片


ACONITANE-3,8,13,14,15-PENTOL, 20-ETHYL-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)-, 14-BENZOATE, (1.ALPHA.,3.ALPHA.,6.ALPHA.,14.ALPHA.,15.ALPHA.,16.BETA.)-

化学式: C32H45NO10 (603.304331)
中文名称: 苯甲酰乌头原碱
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 5.52%

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)O)OC)OC)O)COC
InChI: InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26-,27+,29+,30-,31+,32-/m1/s1

描述信息

Benzaconine is a natural product found in Aconitum anthora, Aconitum kusnezoffii, and other organisms with data available.
Benzoylaconine (Isaconitine; Pikraconitin) is aconite alkaloid in traditional Chinese medicine.
Benzoylaconine (Isaconitine; Pikraconitin) is aconite alkaloid in traditional Chinese medicine.

同义名列表

11 个代谢物同义名

ACONITANE-3,8,13,14,15-PENTOL, 20-ETHYL-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)-, 14-BENZOATE, (1.ALPHA.,3.ALPHA.,6.ALPHA.,14.ALPHA.,15.ALPHA.,16.BETA.)-; 4-21-00-02901 (Beilstein Handbook Reference); aconine 14-benzoate; benzoylaconitine; benzoyl-aconine; benzoylaconine; Picraconitine; Pikraconitin; Isaconitine; Benzaconine; 14-Benzoylaconine



数据库引用编号

9 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

  • Xiaocui Li, Weiqing Hou, Tingting Lin, Jiadong Ni, Huawei Qiu, Yu Fu, Zhongxiang Zhao, Caihua Yang, Na Li, Hua Zhou, Rong Zhang, Zhongqiu Liu, Ling Fu, Lijun Zhu. Neoline, fuziline, songorine and 10-OH mesaconitine are potential quality markers of Fuzi: In vitro and in vivo explorations as well as pharmacokinetics, efficacy and toxicity evaluations. Journal of ethnopharmacology. 2023 Mar; 303(?):115879. doi: 10.1016/j.jep.2022.115879. [PMID: 36370966]
  • Chao Liu, Nabil Farah, Wei Weng, Baixin Jiao, Meiyue Shen, Liang Fang. Investigation of the permeation enhancer strategy on benzoylaconitine transdermal patch: the relationship between transdermal enhancement strength and physicochemical properties of permeation enhancer. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences. 2019 Oct; 138(?):105009. doi: 10.1016/j.ejps.2019.105009. [PMID: 31306781]
  • Yohei Tanimura, Masato Yoshida, Kan'ichiro Ishiuchi, Masahiro Ohsawa, Toshiaki Makino. Neoline is the active ingredient of processed aconite root against murine peripheral neuropathic pain model, and its pharmacokinetics in rats. Journal of ethnopharmacology. 2019 Sep; 241(?):111859. doi: 10.1016/j.jep.2019.111859. [PMID: 30974202]
  • Xiao-Hong Deng, Jing-Jing Liu, Xian-Jun Sun, Jing-Cheng Dong, Jian-Hua Huang. Benzoylaconine induces mitochondrial biogenesis in mice via activating AMPK signaling cascade. Acta pharmacologica Sinica. 2019 May; 40(5):658-665. doi: 10.1038/s41401-018-0174-8. [PMID: 30315253]
  • Ahmatbeck Samanbay, Bo Zhao, Haji Akber Aisa. A new denudatine type C20-diterpenoid alkaloid from Aconitum sinchiangense W. T. Wang. Natural product research. 2018 Oct; 32(19):2319-2324. doi: 10.1080/14786419.2017.1410814. [PMID: 29212360]
  • Shaohua Li, Dawei Chen. Rapid Determination of Aconitum Alkaloids from Human Urine by UHPLC-HRMS. Journal of analytical toxicology. 2017 Sep; 41(7):611-617. doi: 10.1093/jat/bkx045. [PMID: 28873976]
  • Hai Zhang, Sen Sun, Wen Zhang, Xiangqun Xie, Zhenyu Zhu, Yifeng Chai, Guoqing Zhang. Biological activities and pharmacokinetics of aconitine, benzoylaconine, and aconine after oral administration in rats. Drug testing and analysis. 2016 Aug; 8(8):839-46. doi: 10.1002/dta.1858. [PMID: 26360128]
  • Jinjun Wu, Na Lin, Fangyuan Li, Guiyu Zhang, Shugui He, Yuanfeng Zhu, Rilan Ou, Na Li, Shuqiang Liu, Lizhi Feng, Liang Liu, Zhongqiu Liu, Linlin Lu. Induction of P-glycoprotein expression and activity by Aconitum alkaloids: Implication for clinical drug-drug interactions. Scientific reports. 2016 05; 6(?):25343. doi: 10.1038/srep25343. [PMID: 27139035]
  • Shuai Song, Qingfa Tang, Huiling Huo, Hancheng Li, Xuefeng Xing, Jiabo Luo. Simultaneous quantification and pharmacokinetics of alkaloids in Herba Ephedrae-Radix Aconiti Lateralis extracts. Journal of analytical toxicology. 2015 Jan; 39(1):58-68. doi: 10.1093/jat/bku113. [PMID: 25324527]
  • Wen-Wen Peng, Wen Li, Jun-Song Li, Xiao-Bing Cui, Yong-xin Zhang, Guang-Ming Yang, Hong-Mei Wen, Bao-Chang Cai. The effects of Rhizoma Zingiberis on pharmacokinetics of six Aconitum alkaloids in herb couple of Radix Aconiti Lateralis-Rhizoma Zingiberis. Journal of ethnopharmacology. 2013 Jul; 148(2):579-86. doi: 10.1016/j.jep.2013.04.056. [PMID: 23707213]
  • Kohei Kazuma, Katsuhiro Konno. [Poisoning by accidental ingestion of poisonous plants]. Chudoku kenkyu : Chudoku Kenkyukai jun kikanshi = The Japanese journal of toxicology. 2013 Jun; 26(2):97-101. doi: ". [PMID: 23855239]
  • Qian Wang, Rong Shi, Yue-Ming Ma, Peng Jiang, Jie Zhong, Hong-Yan Cui, Ping Liu, Cheng-Hai Liu. Content determination of the major constituents of Yinchenzhufu decoction via ultra high-performance liquid chromatography coupled with electrospray ionisation tandem mass spectrometry. Journal of pharmaceutical and biomedical analysis. 2013 Apr; 77(?):88-93. doi: 10.1016/j.jpba.2013.01.020. [PMID: 23411001]
  • Ling Ye, Xiaoshan Yang, Zhen Yang, Song Gao, Taijun Yin, Wei Liu, Feng Wang, Ming Hu, Zhongqiu Liu. The role of efflux transporters on the transport of highly toxic aconitine, mesaconitine, hypaconitine, and their hydrolysates, as determined in cultured Caco-2 and transfected MDCKII cells. Toxicology letters. 2013 Feb; 216(2-3):86-99. doi: 10.1016/j.toxlet.2012.11.011. [PMID: 23200901]
  • Rui-Qing Wen, Dong-Hui Li, Xin Zhao, Jia-Bo Wang, Yan-Ling Zhao, Ping Zhang, Zhi-Yong Sun, Dan Yan, Xiao-He Xiao, Yu-Zhen Ren, Fei Li, Jie Du, Hai-Yan Zhou. [Rationality of the processing methods of aconiti lateralis radix (Fuzi) based on chemical analysis]. Yao xue xue bao = Acta pharmaceutica Sinica. 2013 Feb; 48(2):286-90. doi: ". [PMID: 23672028]
  • 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]
  • Jing-Zheng Song, Quan-Bin Han, Chun-Feng Qiao, Paul Pui-Hay But, Hong-Xi Xu. Development and validation of a rapid capillary zone electrophoresis method for the determination of aconite alkaloids in aconite roots. Phytochemical analysis : PCA. 2010 Mar; 21(2):137-43. doi: 10.1002/pca.1168. [PMID: 19810124]
  • Fan Zhang, Ming-Hai Tang, Li-Juan Chen, Rui Li, Xian-Huo Wang, Jun-Guo Duan, Xia Zhao, Yu-Quan Wei. Simultaneous quantitation of aconitine, mesaconitine, hypaconitine, benzoylaconine, benzoylmesaconine and benzoylhypaconine in human plasma by liquid chromatography-tandem mass spectrometry and pharmacokinetics evaluation of "SHEN-FU" injectable powder. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2008 Oct; 873(2):173-9. doi: 10.1016/j.jchromb.2008.08.008. [PMID: 18778973]
  • Xiu-xiu Liu, Ruo-bing Chao. [Determination of alkaloids in Radix Aconiti Lateralis Preparata by RP-ion-pair HPLC]. Yao xue xue bao = Acta pharmaceutica Sinica. 2006 Apr; 41(4):365-9. doi: . [PMID: 16856485]
  • Kentaro Wada, Makoto Nihira, Hideyuki Hayakawa, Yukari Tomita, Makiko Hayashida, Youkichi Ohno. Effects of long-term administrations of aconitine on electrocardiogram and tissue concentrations of aconitine and its metabolites in mice. Forensic science international. 2005 Feb; 148(1):21-9. doi: 10.1016/j.forsciint.2004.04.016. [PMID: 15607586]
  • Makiko Hayashida, Hideyuki Hayakawa, Kentaro Wada, Takeshi Yamada, Makoto Nihira, Youkichi Ohno. A column-switching LC/MS/ESI method for detecting tetrodotoxin and Aconitum alkaloids in serum. Legal medicine (Tokyo, Japan). 2003 Mar; 5 Suppl 1(?):S101-4. doi: 10.1016/s1344-6223(02)00076-7. [PMID: 12935563]
  • Ying Sun, Hong-gui Zhang, Xiang-guo Shi, Ming-yu Duan, Da-fang Zhong. [Study on metabolites on aconitine in rabbit urine]. Yao xue xue bao = Acta pharmaceutica Sinica. 2002 Oct; 37(10):781-3. doi: NULL. [PMID: 12567861]
  • C J Liu. [Variations in the alkaloid content of Aconitum carmichaeli before and after processing]. Zhong yao tong bao (Beijing, China : 1981). 1985 Jul; 10(7):22-3. doi: ". [PMID: 2932236]