Dichlorophen (BioDeep_00000002419)

   

human metabolite blood metabolite


代谢物信息卡片


4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol

化学式: C13H10Cl2O2 (268.0058)
中文名称: 亚甲基双对氯酚, 双氯酚
谱图信息: 最多检出来源 Homo sapiens(blood) 8.55%

分子结构信息

SMILES: C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
InChI: InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5088; ORIGINAL_PRECURSOR_SCAN_NO 5083
CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5049; ORIGINAL_PRECURSOR_SCAN_NO 5048
CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5109; ORIGINAL_PRECURSOR_SCAN_NO 5106
CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5084; ORIGINAL_PRECURSOR_SCAN_NO 5079
CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5069; ORIGINAL_PRECURSOR_SCAN_NO 5064
CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5046; ORIGINAL_PRECURSOR_SCAN_NO 5041
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3648
CONFIDENCE standard compound; INTERNAL_ID 2375

同义名列表

7 个代谢物同义名

4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol; 2,2-methylenebis(4-chlorophenol); Dichlorophene; Dichlorophen; Panacide; trivex; Dichlorophen



数据库引用编号

36 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。

亚细胞结构定位 关联基因列表
Cytoplasm 9 ACP1, AHR, AR, CBS, DIS3, HSF1, IDO1, JUP, TFDP3
Peripheral membrane protein 4 ACHE, CLCA1, CYP1B1, JUP
Endoplasmic reticulum membrane 1 CYP1B1
Nucleus 8 ACHE, AHR, AR, CBS, DIS3, HSF1, JUP, TFDP3
cytosol 8 ACP1, AHR, AR, CBS, DIS3, HSF1, IDO1, JUP
centrosome 1 HSF1
nucleoplasm 5 AHR, ANO1, AR, DIS3, HSF1
Cell membrane 6 ACHE, ANO1, CLCA1, JUP, PTGDR2, TNF
Multi-pass membrane protein 2 ANO1, PTGDR2
Synapse 1 ACHE
cell junction 1 JUP
cell surface 2 ACHE, TNF
Golgi apparatus 1 ACHE
neuromuscular junction 1 ACHE
neuronal cell body 1 TNF
sarcolemma 1 ACP1
Cytoplasm, cytosol 1 IDO1
Lysosome 1 PPT2
Presynapse 1 ANO1
plasma membrane 7 ACHE, ANO1, AR, CLCA1, JUP, PTGDR2, TNF
Membrane 8 ACHE, ANO1, AR, CYP1B1, DIS3, HRK, JUP, PPT2
apical plasma membrane 1 ANO1
extracellular exosome 4 ACP1, ANO1, JUP, PPT2
extracellular space 2 ACHE, TNF
lysosomal lumen 1 PPT2
perinuclear region of cytoplasm 2 ACHE, HSF1
adherens junction 1 JUP
intercalated disc 1 JUP
mitochondrion 2 CYP1B1, HRK
protein-containing complex 2 AHR, AR
intracellular membrane-bounded organelle 1 CYP1B1
Microsome membrane 1 CYP1B1
Secreted 2 ACHE, PRB1
extracellular region 5 ACHE, CLCA1, JUP, PRB1, TNF
cytoplasmic side of plasma membrane 2 ACP1, JUP
Extracellular side 2 ACHE, CLCA1
transcription regulator complex 2 AHR, TFDP3
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome 1 HSF1
external side of plasma membrane 1 TNF
Z disc 1 JUP
cell-cell junction 1 JUP
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Apical cell membrane 1 ANO1
Cytoplasm, perinuclear region 1 HSF1
heterochromatin 1 HSF1
Membrane raft 1 TNF
Cytoplasm, cytoskeleton 1 JUP
focal adhesion 1 JUP
Cell junction, adherens junction 1 JUP
zonula adherens 1 JUP
basement membrane 1 ACHE
PML body 1 HSF1
intermediate filament 1 JUP
nuclear speck 1 AR
Zymogen granule membrane 1 CLCA1
neuron projection 1 PTGDR2
chromatin 4 AHR, AR, HSF1, TFDP3
stereocilium bundle 1 IDO1
cell projection 1 ANO1
phagocytic cup 1 TNF
cytoskeleton 1 JUP
Secreted, extracellular space 1 CLCA1
Nucleus, nucleolus 1 DIS3
Lipid-anchor, GPI-anchor 1 ACHE
Cytoplasm, cytoskeleton, spindle pole 1 HSF1
microvillus 1 CLCA1
chloride channel complex 1 ANO1
Cornified envelope 1 JUP
Chromosome, centromere, kinetochore 1 HSF1
aryl hydrocarbon receptor complex 1 AHR
Nucleus, nucleoplasm 2 DIS3, HSF1
euchromatin 1 HSF1
side of membrane 1 ACHE
cytoplasmic exosome (RNase complex) 1 DIS3
ficolin-1-rich granule lumen 1 JUP
specific granule lumen 1 JUP
kinetochore 1 HSF1
mitotic spindle pole 1 HSF1
ribonucleoprotein complex 1 HSF1
protein folding chaperone complex 1 HSF1
synaptic cleft 1 ACHE
protein-DNA complex 1 JUP
exosome (RNase complex) 1 DIS3
Cell junction, desmosome 1 JUP
desmosome 1 JUP
catenin complex 1 JUP
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
smooth muscle contractile fiber 1 IDO1
gamma-catenin-TCF7L2 complex 1 JUP
[Isoform H]: Cell membrane 1 ACHE
nuclear aryl hydrocarbon receptor complex 1 AHR
nuclear stress granule 1 HSF1
cytosolic aryl hydrocarbon receptor complex 1 AHR
nuclear exosome (RNase complex) 1 DIS3
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


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]
  • Geetika Aggarwal, Jonah E Zarrow, Zahra Mashhadi, C Robb Flynn, Paige Vinson, C David Weaver, Sean S Davies. Symmetrically substituted dichlorophenes inhibit N-acyl-phosphatidylethanolamine phospholipase D. The Journal of biological chemistry. 2020 05; 295(21):7289-7300. doi: 10.1074/jbc.ra120.013362. [PMID: 32284327]
  • 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]
  • J Langrand, C Moesch, R Le Grand, V Bloch, R Garnier, F J Baud, B Megarbane. A life-threatening dichlorophen poisoning case: clinical features and kinetics study. Clinical toxicology (Philadelphia, Pa.). 2013 Mar; 51(3):178-81. doi: 10.3109/15563650.2013.776069. [PMID: 23473463]
  • Claudia Twum, Yudan Wei. The association between urinary concentrations of dichlorophenol pesticides and obesity in children. Reviews on environmental health. 2011; 26(3):215-9. doi: 10.1515/reveh.2011.029. [PMID: 22206198]
  • 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]
  • V S Brözel, T E Cloete. Adaptation of Pseudomonas aeruginosa to 2,2'-methylenebis (4-chlorophenol). The Journal of applied bacteriology. 1993 Jan; 74(1):94-9. doi: 10.1111/j.1365-2672.1993.tb03001.x. [PMID: 8420922]
  • 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]
  • T Takeuchi, S Kobayashi, M Tanabe, T Fujiwara. In vitro inhibition of Giardia lamblia and Trichomonas vaginalis growth by bithionol, dichlorophene, and hexachlorophene. Antimicrobial agents and chemotherapy. 1985 Jan; 27(1):65-70. doi: 10.1128/aac.27.1.65. [PMID: 3872626]
  • T Takeuchi, S Kobayashi, H Kawasaki. Entamoeba histolytica: inhibition in vitro by bithionol of respiratory activity and growth. Experimental parasitology. 1984 Aug; 58(1):1-7. doi: 10.1016/0014-4894(84)90015-8. [PMID: 6086381]
  • 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]
  • D V Amla, P N Saxena. Effect of panacide on growth, macromolecule synthesis & photosynthetic pigments in the green alga Scenedesmus obliquus. Indian journal of experimental biology. 1980 Mar; 18(3):315-7. doi: ". [PMID: 6156125]
  • P Fossati, L Prencipe. [Emerson-Trinder reaction: study of various chromogens and analyses of the principle interferences (author's transl)]. Quaderni Sclavo di diagnostica clinica e di laboratorio. 1978 Jun; 14(2):164-77. doi: NULL. [PMID: 751094]
  • ". [Committee on anthelmintics. Residual group]. Tijdschrift voor diergeneeskunde. 1975 Nov; 100(21):1156-9. doi: ". [PMID: 1198575]
  • V F Gladkikh, N D Lychko. [Effect on the liver of the antihelminthic preparation trichlorophen as compared with dichlorophen. Experimental data]. Meditsinskaia parazitologiia i parazitarnye bolezni. 1975 Jul; 44(4):468-73. doi: NULL. [PMID: 1177836]