chloroxylenol (BioDeep_00000413156)

Main id: BioDeep_00000010103

 


代谢物信息卡片


4-chloro-3,5-dimethylphenol

化学式: C8H9ClO (156.0342)
中文名称: 4-氯-3,5-二甲基苯酚, 氯二甲酚
谱图信息: 最多检出来源 not specific(not specific) 0%

分子结构信息

SMILES: CC1=CC(=CC(=C1Cl)C)O
InChI: InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3

描述信息

D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
D004202 - Disinfectants
Same as: D03473
CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4542; ORIGINAL_PRECURSOR_SCAN_NO 4540
CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4530; ORIGINAL_PRECURSOR_SCAN_NO 4528
CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4525; ORIGINAL_PRECURSOR_SCAN_NO 4524
CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4540; ORIGINAL_PRECURSOR_SCAN_NO 4537
CONFIDENCE standard compound; INTERNAL_ID 1207; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4552; ORIGINAL_PRECURSOR_SCAN_NO 4548

同义名列表

3 个代谢物同义名

4-chloro-3,5-dimethylphenol; chloroxylenol; 4-Chloro-3,5-dimethylphenol



数据库引用编号

16 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。

亚细胞结构定位 关联基因列表
Cytoplasm 14 ANXA5, AXIN2, BIRC5, CAT, CTNNB1, CYP2C9, GPX1, GPX2, HSP90AB2P, MITF, NEFM, NEUROD1, TAOK3, TLR4
Peripheral membrane protein 3 ANXA5, CYP1B1, TAOK3
Endosome membrane 1 TLR4
Endoplasmic reticulum membrane 2 CYP1B1, CYP2C9
Nucleus 6 AXIN2, BIRC5, CTNNB1, KDR, MITF, NEUROD1
cytosol 9 ANXA5, AXIN2, BIRC5, CAT, CTNNB1, GPX1, GPX2, HSP90AB2P, MITF
dendrite 1 NTF3
centrosome 2 AXIN2, CTNNB1
nucleoplasm 5 BIRC5, CTNNB1, MITF, NEUROD1, SCNN1G
RNA polymerase II transcription regulator complex 1 NEUROD1
Cell membrane 4 CTNNB1, KDR, TAOK3, TLR4
lamellipodium 1 CTNNB1
Cell projection, axon 1 NEFM
Multi-pass membrane protein 1 SCNN1G
Synapse 1 CTNNB1
cell cortex 1 CTNNB1
cell junction 2 CTNNB1, KDR
cell surface 1 TLR4
glutamatergic synapse 1 CTNNB1
Golgi apparatus 1 KDR
lysosomal membrane 1 MITF
presynaptic membrane 1 CTNNB1
sarcolemma 1 ANXA5
synaptic vesicle 1 NTF3
Cytoplasm, cytosol 1 GPX2
endosome 1 KDR
plasma membrane 9 AXIN2, CTNNB1, CYP2C9, HSP90AB2P, KDR, NTRK3, SCNN1G, TAOK3, TLR4
Membrane 6 ANXA5, CAT, CTNNB1, CYP1B1, NTRK3, TLR4
apical plasma membrane 1 SCNN1G
axon 3 NEFM, NTF3, NTRK3
basolateral plasma membrane 1 CTNNB1
extracellular exosome 5 ANXA5, CAT, CTNNB1, HSP90AB2P, SCNN1G
Lysosome membrane 1 MITF
endoplasmic reticulum 1 KDR
extracellular space 1 NTF3
perinuclear region of cytoplasm 3 CTNNB1, HSP90AB2P, TLR4
Schaffer collateral - CA1 synapse 1 CTNNB1
adherens junction 1 CTNNB1
apicolateral plasma membrane 1 CTNNB1
bicellular tight junction 1 CTNNB1
mitochondrion 3 CAT, CYP1B1, GPX1
protein-containing complex 5 BIRC5, CAT, CTNNB1, HSP90AB2P, MITF
intracellular membrane-bounded organelle 3 CAT, CYP1B1, CYP2C9
Microsome membrane 2 CYP1B1, CYP2C9
Single-pass type I membrane protein 2 NTRK3, TLR4
Secreted 1 PRB1
extracellular region 5 ANXA5, CAT, KDR, NTF3, PRB1
[Isoform 2]: Secreted 1 KDR
mitochondrial matrix 2 CAT, GPX1
anchoring junction 1 KDR
transcription regulator complex 1 CTNNB1
external side of plasma membrane 4 ANXA5, KDR, SCNN1G, TLR4
Z disc 1 CTNNB1
beta-catenin destruction complex 2 AXIN2, CTNNB1
microtubule cytoskeleton 1 BIRC5
Wnt signalosome 1 CTNNB1
midbody 1 BIRC5
Early endosome 2 KDR, TLR4
apical part of cell 1 CTNNB1
cell-cell junction 1 CTNNB1
postsynaptic membrane 1 CTNNB1
Apical cell membrane 1 SCNN1G
Membrane raft 1 KDR
Cytoplasm, cytoskeleton 2 CTNNB1, NEFM
Cytoplasm, cytoskeleton, spindle 1 BIRC5
focal adhesion 3 ANXA5, CAT, CTNNB1
microtubule 1 BIRC5
spindle 1 BIRC5
Cell junction, adherens junction 1 CTNNB1
flotillin complex 1 CTNNB1
Peroxisome 1 CAT
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
collagen-containing extracellular matrix 1 ANXA5
fascia adherens 1 CTNNB1
intermediate filament 1 NEFM
lateral plasma membrane 1 CTNNB1
interphase microtubule organizing center 1 BIRC5
Cell projection, ruffle 1 TLR4
ruffle 1 TLR4
receptor complex 3 KDR, NTRK3, TLR4
Zymogen granule membrane 1 ANXA5
chromatin 2 MITF, NEUROD1
phagocytic cup 1 TLR4
cell periphery 1 CTNNB1
mitotic spindle 1 GPX2
Chromosome 1 BIRC5
Cytoplasm, cytoskeleton, cilium basal body 1 CTNNB1
centriole 1 BIRC5
spindle pole 1 CTNNB1
nuclear chromosome 1 BIRC5
postsynaptic density, intracellular component 1 CTNNB1
microvillus membrane 1 CTNNB1
intercellular bridge 1 GPX2
Endomembrane system 1 CTNNB1
sorting endosome 1 KDR
Chromosome, centromere 1 BIRC5
Chromosome, centromere, kinetochore 1 BIRC5
sodium channel complex 1 SCNN1G
euchromatin 1 CTNNB1
intermediate filament cytoskeleton 1 NEFM
lipopolysaccharide receptor complex 1 TLR4
ficolin-1-rich granule lumen 1 CAT
secretory granule lumen 1 CAT
kinetochore 1 BIRC5
beta-catenin-TCF complex 1 CTNNB1
chromosome, centromeric region 1 BIRC5
neurofilament 1 NEFM
presynaptic active zone cytoplasmic component 1 CTNNB1
vesicle membrane 1 ANXA5
chromosome passenger complex 1 BIRC5
cytoplasmic microtubule 1 BIRC5
protein-DNA complex 1 CTNNB1
spindle microtubule 1 BIRC5
survivin complex 1 BIRC5
catenin complex 1 CTNNB1
catalase complex 1 CAT
postsynaptic intermediate filament cytoskeleton 1 NEFM
neurofibrillary tangle 1 NEFM
endothelial microparticle 1 ANXA5
beta-catenin-TCF7L2 complex 1 CTNNB1
beta-catenin-ICAT complex 1 CTNNB1
Scrib-APC-beta-catenin complex 1 CTNNB1


文献列表

  • Lawrence A Schachner, Ulrike Blume-Peytavi, Anneke Andriessen, Jan Izakovic, Annabel Maruani, Giuseppe Micali, Nikolay Murashkin, Carmen Salavastru, Antonio Torrelo. Algorithm to attenuate atopic dermatitis and for promoting a healthy skin barrier using skincare in newborns and infants. Italian journal of dermatology and venereology. 2023 Jun; 158(3):224-235. doi: 10.23736/s2784-8671.23.07336-x. [PMID: 37278500]
  • Marta Nowak-Lange, Katarzyna Niedziałkowska, Przemysław Bernat, Katarzyna Lisowska. In vitro study of the ecotoxicological risk of methylisothiazolinone and chloroxylenol towards soil bacteria. Scientific reports. 2022 11; 12(1):19068. doi: 10.1038/s41598-022-22981-9. [PMID: 36352006]
  • Jianhua Tan, Hongxuan Kuang, Congcong Wang, Jian Liu, Qihua Pang, Qilai Xie, Ruifang Fan. Human exposure and health risk assessment of an increasingly used antibacterial alternative in personal care products: Chloroxylenol. The Science of the total environment. 2021 Sep; 786(?):147524. doi: 10.1016/j.scitotenv.2021.147524. [PMID: 33975105]
  • 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]
  • Oluwatosin Obata, John Greenman, Halil Kurt, Kartik Chandran, Ioannis Ieropoulos. Resilience and limitations of MFC anodic community when exposed to antibacterial agents. Bioelectrochemistry (Amsterdam, Netherlands). 2020 Aug; 134(?):107500. doi: 10.1016/j.bioelechem.2020.107500. [PMID: 32299023]
  • 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]
  • David Poger, Alan E Mark. Effect of Triclosan and Chloroxylenol on Bacterial Membranes. The journal of physical chemistry. B. 2019 06; 123(25):5291-5301. doi: 10.1021/acs.jpcb.9b02588. [PMID: 31242742]
  • Erol Capkin, Tuna Ozcelep, Sevki Kayis, Ilhan Altinok. Antimicrobial agents, triclosan, chloroxylenol, methylisothiazolinone and borax, used in cleaning had genotoxic and histopathologic effects on rainbow trout. Chemosphere. 2017 Sep; 182(?):720-729. doi: 10.1016/j.chemosphere.2017.05.093. [PMID: 28531838]
  • Daniel J Warner, Hongming Chen, Louis-David Cantin, J Gerry Kenna, Simone Stahl, Clare L Walker, Tobias Noeske. Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification. Drug metabolism and disposition: the biological fate of chemicals. 2012 Dec; 40(12):2332-41. doi: 10.1124/dmd.112.047068. [PMID: 22961681]
  • Brandon Findlay, George G Zhanel, Frank Schweizer. Neomycin-phenolic conjugates: polycationic amphiphiles with broad-spectrum antibacterial activity, low hemolytic activity and weak serum protein binding. Bioorganic & medicinal chemistry letters. 2012 Feb; 22(4):1499-503. doi: 10.1016/j.bmcl.2012.01.025. [PMID: 22285320]
  • Lilian T Mselle, Karen Marie Moland, Bjørg Evjen-Olsen, Abu Mvungi, Thecla W Kohi. 'I am nothing': experiences of loss among women suffering from severe birth injuries in Tanzania. BMC women's health. 2011 Nov; 11(?):49. doi: 10.1186/1472-6874-11-49. [PMID: 22082132]
  • Olayinka Aiyegoro, Adekanmi Adewusi, Sunday Oyedemi, David Akinpelu, Anthony Okoh. Interactions of antibiotics and methanolic crude extracts of Afzelia Africana (Smith.) against drug resistance bacterial isolates. International journal of molecular sciences. 2011; 12(7):4477-503. doi: 10.3390/ijms12074477. [PMID: 21845091]
  • Olayinka A Aiyegoro, Anthony I Okoh. Preliminary phytochemical screening and in vitro antioxidant activities of the aqueous extract of Helichrysum longifolium DC. BMC complementary and alternative medicine. 2010 May; 10(?):21. doi: 10.1186/1472-6882-10-21. [PMID: 20470421]
  • Christine Dellanno, Quinn Vega, Diane Boesenberg. The antiviral action of common household disinfectants and antiseptics against murine hepatitis virus, a potential surrogate for SARS coronavirus. American journal of infection control. 2009 Oct; 37(8):649-52. doi: 10.1016/j.ajic.2009.03.012. [PMID: 19692148]
  • A K Bajaj, Abir Saraswat, Gaurav Mukhija, Shashank Rastogi, Sudha Yadav. Patch testing experience with 1000 patients. Indian journal of dermatology, venereology and leprology. 2007 Sep; 73(5):313-8. doi: 10.4103/0378-6323.34008. [PMID: 17921610]
  • W Butcher, D Ulaeto. Contact inactivation of orthopoxviruses by household disinfectants. Journal of applied microbiology. 2005; 99(2):279-84. doi: 10.1111/j.1365-2672.2005.02601.x. [PMID: 16033458]
  • 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]
  • Mirta Beatriz Reynaldo, Mónica Beatriz Flores, José Alberto Viegas Caetano, María del Carmen Magariños. [Efficacy of biocides against hospital isolates of Staphylococcus sensitive and resistant to methicillin, in the province of Buenos Aires, Argentina]. Revista panamericana de salud publica = Pan American journal of public health. 2004 Sep; 16(3):187-92. doi: 10.1590/s1020-49892004000900005. [PMID: 15507186]
  • Reinhard A Uebel, Cherylynn A Wium. Toxicological screening for drugs of abuse in samples adulterated with household chemicals. South African medical journal = Suid-Afrikaanse tydskrif vir geneeskunde. 2002 Jul; 92(7):547-9. doi: . [PMID: 12197198]
  • R O Darouiche, J Farmer, C Chaput, M Mansouri, G Saleh, G C Landon. Anti-infective efficacy of antiseptic-coated intramedullary nails. The Journal of bone and joint surgery. American volume. 1998 Sep; 80(9):1336-40. doi: 10.2106/00004623-199809000-00013. [PMID: 9759819]
  • A Wood, D Payne. The action of three antiseptics/disinfectants against enveloped and non-enveloped viruses. The Journal of hospital infection. 1998 Apr; 38(4):283-95. doi: 10.1016/s0195-6701(98)90077-9. [PMID: 9602977]
  • R O Darouiche, G Green, M D Mansouri. Antimicrobial activity of antiseptic-coated orthopaedic devices. International journal of antimicrobial agents. 1998 Apr; 10(1):83-6. doi: 10.1016/s0924-8579(98)00017-x. [PMID: 9624548]
  • J C Rees, S Vernon, S J Pedler, M G Coulthard. Collection of urine from washed-up potties. Lancet (London, England). 1996 Jul; 348(9021):197. doi: 10.1016/s0140-6736(05)66144-2. [PMID: 8684173]
  • T Y Chan, J A Critchley. Is chloroxylenol nephrotoxic like phenol? A study of patients with DETTOL poisoning. Veterinary and human toxicology. 1994 Jun; 36(3):250-1. doi: . [PMID: 8066978]
  • T Y Chan, J A Critchley. The spectrum of poisonings in Hong Kong: an overview. Veterinary and human toxicology. 1994 Apr; 36(2):135-7. doi: ". [PMID: 8197714]
  • A Dorantes, S Stavchansky. Pharmacokinetic and metabolic disposition of p-chloro-m-xylenol (PCMX) in dogs. Pharmaceutical research. 1992 May; 9(5):677-82. doi: 10.1023/a:1015814513373. [PMID: 1608902]
  • J Judis. Binding of selected phenol derivatives to human serum proteins. Journal of pharmaceutical sciences. 1982 Oct; 71(10):1145-7. doi: 10.1002/jps.2600711017. [PMID: 7143213]