clorofene (BioDeep_00000271366)

   


代谢物信息卡片


2-Benzyl-4-chlorophenol

化学式: C13H11ClO (218.0498386)
中文名称: 2-苄基-4-氯苯酚
谱图信息: 最多检出来源 Viridiplantae(plant) 90%

分子结构信息

SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O
InChI: InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2

描述信息

D000890 - Anti-Infective Agents
CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5300; ORIGINAL_PRECURSOR_SCAN_NO 5299
CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5273; ORIGINAL_PRECURSOR_SCAN_NO 5268
CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5197; ORIGINAL_PRECURSOR_SCAN_NO 5193
CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5224; ORIGINAL_PRECURSOR_SCAN_NO 5220
CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5222; ORIGINAL_PRECURSOR_SCAN_NO 5220
CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5298; ORIGINAL_PRECURSOR_SCAN_NO 5296
DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5298; CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_PRECURSOR_SCAN_NO 5296
CONFIDENCE standard compound; INTERNAL_ID 2366
CONFIDENCE standard compound; INTERNAL_ID 4230
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8634
CONFIDENCE standard compound; INTERNAL_ID 8140

同义名列表

4 个代谢物同义名

2-Benzyl-4-chlorophenol; clorofene; Clorophene; Chlorophene



数据库引用编号

22 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

  • Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
  • Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
  • Scott W Simpkins, Jeremy W Bedard, Stephen R Groskreutz, Michael M Swenson, Tomas E Liskutin, Dwight R Stoll. Targeted three-dimensional liquid chromatography: a versatile tool for quantitative trace analysis in complex matrices. Journal of chromatography. A. 2010 Dec; 1217(49):7648-60. doi: 10.1016/j.chroma.2010.09.023. [PMID: 21047638]
  • Corine J Houtman, Petra Booij, Karin M van der Valk, Peter M van Bodegom, Frank van den Ende, Anton A M Gerritsen, Marja H Lamoree, Juliette Legler, Abraham Brouwer. Biomonitoring of estrogenic exposure and identification of responsible compounds in bream from Dutch surface waters. Environmental toxicology and chemistry. 2007 May; 26(5):898-907. doi: 10.1897/06-326r.1. [PMID: 17521135]
  • Corine J Houtman, Annemiek M Van Oostveen, Abraham Brouwer, Marja H Lamoree, Juliette Legler. Identification of estrogenic compounds in fish bile using bioassay-directed fractionation. Environmental science & technology. 2004 Dec; 38(23):6415-23. doi: 10.1021/es049750p. [PMID: 15597899]
  • Torill A Yamarik. Safety assessment of dichlorophene and chlorophene. International journal of toxicology. 2004; 23 Suppl 1(?):1-27. doi: 10.1080/10915810490274289. [PMID: 15162836]
  • D S Marsman, S L Grumbein, J K Haseman, J R Hailey. Chronic nephropathy and renal carcinogenicity of o-benzyl-p-chlorophenol in F344/N rats and B6C3F1 mice. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1995 Sep; 27(2):252-62. doi: 10.1006/faat.1995.1131. [PMID: 8529821]
  • L S Birnbaum, R Deskin, S L Grumbein, P Kurtz, K L Fowler, A C Peters. Prechronic toxicity of o-benzyl-p-chlorophenol in rats and mice. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1986 Nov; 7(4):615-25. doi: 10.1016/0272-0590(86)90111-9. [PMID: 3803756]
  • L R Kao, J A Goldstein, L S Birnbaum. Effect of o-benzyl-p-chlorophenol on drug-metabolizing enzymes in rats. Biochemical pharmacology. 1986 Feb; 35(4):613-20. doi: 10.1016/0006-2952(86)90356-4. [PMID: 3947391]
  • W P Ridley, M R Sewall, M W Dietrich. Metabolism and disposition of ortho-benzyl-para-chlorophenol in male rats. Journal of toxicology and environmental health. 1986; 18(2):267-83. doi: 10.1080/15287398609530867. [PMID: 3712489]
  • L R Kao, L S Birnbaum. Disposition of o-benzyl-p-chlorophenol in male rats. Journal of toxicology and environmental health. 1986; 18(3):441-58. doi: 10.1080/15287398609530884. [PMID: 3712501]
  • L L Needham, R H Hill, D C Paschal, S L Sirmans. Determination of three germicidal phenols in serum of infants with hyperbilirubinemia. Clinica chimica acta; international journal of clinical chemistry. 1980 Nov; 107(3):261-6. doi: 10.1016/0009-8981(80)90454-4. [PMID: 7438459]
  • V V Vorontsov. [Effect of some phenothiazine derivatives on kidney function]. Farmakologiia i toksikologiia. 1975 May; 38(3):313-6. doi: NULL. [PMID: 6306]