α-​Chaconine (BioDeep_00001103463)

   

PANOMIX_OTCML-2023


代谢物信息卡片


(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

化学式: C45H73NO14 (851.5030797999999)
中文名称: 卡茄碱
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 58.33%

分子结构信息

SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C
InChI: InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,42-,43+,44-,45-/m0/s1

描述信息

同义名列表

3 个代谢物同义名

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; α-​Chaconine; alpha-Chaconine



数据库引用编号

6 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)

0 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

  • Xiuyao Zhang, Xinxin Cai, Xiaoyi Zhang. [Determination of alpha-solanine, alpha-chaconine and solanidine in plasma and urine by ultra-performance liquid chromatography-triple quadrupole mass spectrometry]. Se pu = Chinese journal of chromatography. 2014 Jun; 32(6):586-90. doi: 10.3724/sp.j.1123.2014.03001. [PMID: 25269255]
  • Jesus Valcarcel, Kim Reilly, Michael Gaffney, Nora O'Brien. Effect of genotype and environment on the glycoalkaloid content of rare, heritage, and commercial potato varieties. Journal of food science. 2014 May; 79(5):T1039-48. doi: 10.1111/1750-3841.12443. [PMID: 24697731]
  • Shiro Yamashoji, Takako Matsuda. Synergistic cytotoxicity induced by α-solanine and α-chaconine. Food chemistry. 2013 Nov; 141(2):669-74. doi: 10.1016/j.foodchem.2013.03.104. [PMID: 23790833]
  • Søren Langkilde, Malene Schrøder, Derek Stewart, Otto Meyer, Sean Conner, Howard Davies, Morten Poulsen. Acute toxicity of high doses of the glycoalkaloids, alpha-solanine and alpha-chaconine, in the Syrian Golden hamster. Journal of agricultural and food chemistry. 2008 Sep; 56(18):8753-60. doi: 10.1021/jf8012794. [PMID: 18710251]
  • David J Chitwood. Phytochemical based strategies for nematode control. Annual review of phytopathology. 2002; 40(?):221-49. doi: 10.1146/annurev.phyto.40.032602.130045. [PMID: 12147760]
  • D R Driedger, P Sporns. Immunoaffinity sample purification and MALDI-TOF MS analysis of alpha-Solanine and alpha-chaconine in serum. Journal of agricultural and food chemistry. 2001 Feb; 49(2):543-8. doi: 10.1021/jf0004513. [PMID: 11261989]
  • D S McGehee, M D Krasowski, D L Fung, B Wilson, G A Gronert, J Moss. Cholinesterase inhibition by potato glycoalkaloids slows mivacurium metabolism. Anesthesiology. 2000 Aug; 93(2):510-9. doi: 10.1097/00000542-200008000-00031. [PMID: 10910502]
  • H N Nigg, L E Ramos, E M Graham, J Sterling, S Brown, J A Cornell. Inhibition of human plasma and serum butyrylcholinesterase (EC 3.1.1.8) by alpha-chaconine and alpha-solanine. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1996 Oct; 33(2):272-81. doi: 10.1006/faat.1996.0165. [PMID: 8921346]
  • K E Hellenäs, E Cekan, P Slanina, K Bergman. Studies of embryotoxicity and the incidence of external malformations after continuous intravenous infusion of alpha-chaconine in pregnant rats. Pharmacology & toxicology. 1992 May; 70(5 Pt 1):381-3. doi: 10.1111/j.1600-0773.1992.tb00491.x. [PMID: 1608927]
  • K E Hellenäs, A Nyman, P Slanina, L Lööf, J Gabrielsson. Determination of potato glycoalkaloids and their aglycone in blood serum by high-performance liquid chromatography. Application to pharmacokinetic studies in humans. Journal of chromatography. 1992 Jan; 573(1):69-78. doi: 10.1016/0378-4347(92)80476-7. [PMID: 1564109]
  • J de Kanel, L Dunlap, T D Hall. Extending the detection limit of the TDx fluorescence polarization immunoassay for benzoylecgonine in urine. Clinical chemistry. 1989 Oct; 35(10):2110-2. doi: 10.1093/clinchem/35.10.2110. [PMID: 2791279]
  • S O Alozie, R P Sharma, D K Salunkhe. Excretion of alpha-chaconine-3H, a steroidal glycoalkaloid from Solanum tuberosum L. and its metabolites in hamsters. Pharmacological research communications. 1979 Jun; 11(6):483-90. doi: 10.1016/s0031-6989(79)80020-x. [PMID: 504322]