1-Butyl-3-(1-naphthoyl)indole (BioDeep_00000173669)

 

Secondary id: BioDeep_00000272583

human metabolite blood metabolite


代谢物信息卡片


(1-Butyl-1H-indole-3-yl)-1-naphthalenyl methanone

化学式: C23H21NO (327.1623056)
中文名称: 1-丁基-3-(1-萘甲酰基)吲哚
谱图信息: 最多检出来源 Viridiplantae(plant) 95.83%

分子结构信息

SMILES: CCCCN1C=C(C(=O)C2=CC=CC3=CC=CC=C23)C2=CC=CC=C12
InChI: InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3

描述信息

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators
D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists

同义名列表

5 个代谢物同义名

(1-Butyl-1H-indole-3-yl)-1-naphthalenyl methanone; 1-butyl-3-(naphthalene-1-carbonyl)-1H-indole; 1-butyl-3-(naphthalene-1-carbonyl)indole; 1-Butyl-3-(1-naphthoyl)indole; JWH-073



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)

1 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

  • Serdar Sanli, Faezeh Ghorbani-Zamani, Hichem Moulahoum, Zinar Pinar Gumus, Hakan Coskunol, Dilek Odaci Demirkol, Suna Timur. Application of Biofunctionalized Magnetic Nanoparticles Based-Sensing in Abused Drugs Diagnostics. Analytical chemistry. 2020 01; 92(1):1033-1040. doi: 10.1021/acs.analchem.9b04025. [PMID: 31800231]
  • Vinicius Figueiredo Sardela, Carina de Souza Anselmo, Isabelle Karine da Costa Nunes, Gabriel Reis Alves Carneiro, Gustavo Ramalho Cardoso Dos Santos, Aline Reis de Carvalho, Bruna de Jesus Labanca, Daniely Silva Oliveira, William Dias Ribeiro, Amanda Lessa Dutra de Araujo, Monica Costa Padilha, Cleverton Kleiton Freitas de Lima, Valeria Pereira de Sousa, Francisco Radler de Aquino Neto, Henrique Marcelo Gualberto Pereira. Zebrafish (Danio rerio) water tank model for the investigation of drug metabolism: Progress, outlook, and challenges. Drug testing and analysis. 2018 Nov; 10(11-12):1657-1669. doi: 10.1002/dta.2523. [PMID: 30341930]
  • Dilek Battal, Semra Akgönüllü, M Serkan Yalcin, Handan Yavuz, Adil Denizli. Molecularly imprinted polymer based quartz crystal microbalance sensor system for sensitive and label-free detection of synthetic cannabinoids in urine. Biosensors & bioelectronics. 2018 Jul; 111(?):10-17. doi: 10.1016/j.bios.2018.03.055. [PMID: 29631158]
  • Ziva D Cooper, Justin L Poklis, Fei Liu. Methodology for controlled administration of smoked synthetic cannabinoids JWH-018 and JWH-073. Neuropharmacology. 2018 05; 134(Pt A):92-100. doi: 10.1016/j.neuropharm.2017.11.020. [PMID: 29146503]
  • T W Grim, A J Morales, B F Thomas, J L Wiley, G W Endres, S S Negus, A H Lichtman. Apparent CB1 Receptor Rimonabant Affinity Estimates: Combination with THC and Synthetic Cannabinoids in the Mouse In Vivo Triad Model. The Journal of pharmacology and experimental therapeutics. 2017 07; 362(1):210-218. doi: 10.1124/jpet.117.240192. [PMID: 28442584]
  • Shimpei Watanabe, Unnikrishnan Kuzhiumparambil, Zofia Winiarski, Shanlin Fu. Biotransformation of synthetic cannabinoids JWH-018, JWH-073 and AM2201 by Cunninghamella elegans. Forensic science international. 2016 Apr; 261(?):33-42. doi: 10.1016/j.forsciint.2015.12.023. [PMID: 26907475]
  • Serkan Ozturk, Yeter Erol Ozturk, Oya Yeter, Buket Alpertunga. Application of a validated LC-MS/MS method for JWH-073 and its metabolites in blood and urine in real forensic cases. Forensic science international. 2015 Dec; 257(?):165-171. doi: 10.1016/j.forsciint.2015.08.013. [PMID: 26360591]
  • Solfrid Hegstad, Andreas A Westin, Olav Spigset. Detection Times of Carboxylic Acid Metabolites of the Synthetic Cannabinoids JWH-018 and JWH-073 in Human Urine. Journal of analytical toxicology. 2015 May; 39(4):280-6. doi: 10.1093/jat/bkv013. [PMID: 25737323]
  • Buddha D Paul, Thomas Bosy. A sensitive GC-EIMS method for simultaneous detection and quantification of JWH-018 and JWH-073 carboxylic acid and hydroxy metabolites in urine. Journal of analytical toxicology. 2015 Apr; 39(3):172-82. doi: 10.1093/jat/bku178. [PMID: 25691387]
  • Karl B Scheidweiler, Michael J Y Jarvis, Marilyn A Huestis. Nontargeted SWATH acquisition for identifying 47 synthetic cannabinoid metabolites in human urine by liquid chromatography-high-resolution tandem mass spectrometry. Analytical and bioanalytical chemistry. 2015 Jan; 407(3):883-97. doi: 10.1007/s00216-014-8118-8. [PMID: 25224637]
  • Susana Sadler Simões, Inês Silva, Antonio Castañera Ajenjo, Mário João Dias. Validation and application of an UPLC-MS/MS method for the quantification of synthetic cannabinoids in urine samples and analysis of seized materials from the Portuguese market. Forensic science international. 2014 Oct; 243(?):117-25. doi: 10.1016/j.forsciint.2014.07.022. [PMID: 25127518]
  • Veniero Gambaro, Sebastiano Arnoldi, Stefania Bellucci, Eleonora Casagni, Lucia Dell'Acqua, Laura Fumagalli, Marco Pallavicini, Gabriella Roda, Chiara Rusconi, Ermanno Valoti. Characterization of in vitro metabolites of JWH-018, JWH-073 and their 4-methyl derivatives, markers of the abuse of these synthetic cannabinoids. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2014 Apr; 957(?):68-76. doi: 10.1016/j.jchromb.2014.03.001. [PMID: 24657413]
  • Lisa K Brents, Paul L Prather. The K2/Spice phenomenon: emergence, identification, legislation and metabolic characterization of synthetic cannabinoids in herbal incense products. Drug metabolism reviews. 2014 Feb; 46(1):72-85. doi: 10.3109/03602532.2013.839700. [PMID: 24063277]
  • Moonhee Jang, Wonkyung Yang, Hyeyoung Choi, Hyejin Chang, Sooyeun Lee, Eunmi Kim, Heesun Chung. Monitoring of urinary metabolites of JWH-018 and JWH-073 in legal cases. Forensic science international. 2013 Sep; 231(1-3):13-9. doi: 10.1016/j.forsciint.2013.03.053. [PMID: 23890611]
  • Enrique G Yanes, Dennis P Lovett. High-throughput bioanalytical method for analysis of synthetic cannabinoid metabolites in urine using salting-out sample preparation and LC-MS/MS. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2012 Nov; 909(?):42-50. doi: 10.1016/j.jchromb.2012.10.013. [PMID: 23153643]
  • Rebecca Heltsley, Melinda K Shelby, Dennis J Crouch, David L Black, Timothy A Robert, Lucas Marshall, Chantel L Bender, Anne Z DePriest, Michael A Colello. Prevalence of synthetic cannabinoids in U.S. athletes: initial findings. Journal of analytical toxicology. 2012 Oct; 36(8):588-93. doi: 10.1093/jat/bks066. [PMID: 22872465]
  • Justin L Poklis, Dorra Amira, Laura E Wise, Jason M Wiebelhaus, Brenda J Haggerty, Alphonse Poklis. Detection and disposition of JWH-018 and JWH-073 in mice after exposure to 'Magic Gold' smoke. Forensic science international. 2012 Jul; 220(1-3):91-6. doi: 10.1016/j.forsciint.2012.02.003. [PMID: 22405481]
  • Mahmoud A ElSohly, Waseem Gul, Kareem M Elsohly, Timothy P Murphy, Vamsi L M Madgula, Shabana I Khan. Liquid chromatography-tandem mass spectrometry analysis of urine specimens for K2 (JWH-018) metabolites. Journal of analytical toxicology. 2011 Sep; 35(7):487-95. doi: 10.1093/anatox/35.7.487. [PMID: 21871158]
  • Cindy L Moran, Vi-Huyen Le, Krishna C Chimalakonda, Amy L Smedley, Felisia D Lackey, Suzanne N Owen, Paul D Kennedy, Gregory W Endres, Fred L Ciske, James B Kramer, Andrei M Kornilov, L D Bratton, Paul J Dobrowolski, William D Wessinger, William E Fantegrossi, Paul L Prather, Laura P James, Anna Radominska-Pandya, Jeffery H Moran. Quantitative measurement of JWH-018 and JWH-073 metabolites excreted in human urine. Analytical chemistry. 2011 Jun; 83(11):4228-36. doi: 10.1021/ac2005636. [PMID: 21506519]