2,4-Dihydroxybenzophenone (BioDeep_00000001434)
Secondary id: BioDeep_00001873739
human metabolite blood metabolite Industrial Pollutants
代谢物信息卡片
化学式: C13H10O3 (214.063)
中文名称: 2,4-二羟基二苯甲酮
谱图信息:
最多检出来源 Homo sapiens(blood) 19%
分子结构信息
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O
InChI: InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H
描述信息
CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4541; ORIGINAL_PRECURSOR_SCAN_NO 4540
CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4547
CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529; ORIGINAL_PRECURSOR_SCAN_NO 4528
CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4559
CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581
CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582
ORIGINAL_PRECURSOR_SCAN_NO 4528; CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529
CONFIDENCE standard compound; INTERNAL_ID 8332
同义名列表
数据库引用编号
24 个数据库交叉引用编号
- ChEBI: CHEBI:34240
- KEGG: C14215
- PubChem: 8572
- HMDB: HMDB0240715
- Metlin: METLIN69882
- ChEMBL: CHEMBL1392
- chemspider: 8254
- CAS: 91586-06-0
- CAS: 92092-63-2
- CAS: 131-56-6
- MoNA: SM833251
- MoNA: SM833201
- MoNA: LU134252
- MoNA: LU134251
- MoNA: LU134253
- MoNA: LU134256
- MoNA: LU134255
- MoNA: LU134254
- PMhub: MS000000503
- PubChem: 7847025
- PDB-CCD: CUT
- NIKKAJI: J5.561A
- RefMet: 2,4-Dihydroxybenzophenone
- KNApSAcK: 34240
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
- Ulla Nordström Joensen, Niels Jørgensen, Jacob P Thyssen, Pal Bela Szecsi, Steen Stender, Jørgen Holm Petersen, Anna-Maria Andersson, Hanne Frederiksen. Urinary excretion of phenols, parabens and benzophenones in young men: Associations to reproductive hormones and semen quality are modified by mutations in the Filaggrin gene.
Environment international.
2018 12; 121(Pt 1):365-374. doi:
10.1016/j.envint.2018.09.020. [PMID: 30245359] - Esra Mutlu, Jessica Pierfelice, Barry S McIntyre, Helen C Cunny, Grace E Kissling, Brian Burback, Suramya Waidyanatha. Simultaneous Quantitation of 2-Hydroxy-4-Methoxybenzophenone, a Sunscreen Ingredient, and its Metabolites in Harlan Sprague Dawley Rat Plasma Following Perinatal Dietary Exposure.
Journal of analytical toxicology.
2017 Nov; 41(9):744-754. doi:
10.1093/jat/bkx070. [PMID: 28977387] - Huixiao Hong, William S Branham, Hui Wen Ng, Carrie L Moland, Stacey L Dial, Hong Fang, Roger Perkins, Daniel Sheehan, Weida Tong. Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein.
Toxicological sciences : an official journal of the Society of Toxicology.
2015 Feb; 143(2):333-48. doi:
10.1093/toxsci/kfu231. [PMID: 25349334] - Isuha Tarazona, Alberto Chisvert, Amparo Salvador. Determination of benzophenone-3 and its main metabolites in human serum by dispersive liquid-liquid microextraction followed by liquid chromatography tandem mass spectrometry.
Talanta.
2013 Nov; 116(?):388-95. doi:
10.1016/j.talanta.2013.05.075. [PMID: 24148420] - Daryl J Fediuk, Tao Wang, Yufei Chen, Fiona E Parkinson, Michael P Namaka, Keith J Simons, Frank J Burczynski, Xiaochen Gu. Metabolic disposition of the insect repellent DEET and the sunscreen oxybenzone following intravenous and skin administration in rats.
International journal of toxicology.
2012 Sep; 31(5):467-76. doi:
10.1177/1091581812459893. [PMID: 23064701] - Jesús Hierrezuelo, Juana Benavente, Juan Manuel López-Romero, Maria del Valle Martínez de Yuso, Enrique Rodríguez-Castellón. Preparation, chemical and electrical characterizations of lipid nanoparticles loaded with dihydroxybenzophenone.
Medicinal chemistry (Shariqah (United Arab Emirates)).
2012 Jul; 8(4):541-8. doi:
10.2174/157340612801216238. [PMID: 22571193] - Xue-yin Wu, Ru Xue, Xin Liu, Feng-lan Jia, Ming Ruan, Bao-xu Zhang. [Protective effect of 2,4-dihydroxybenzophenone on cocaine-induced hepatotoxicity and neurotoxicity in mice].
Beijing da xue xue bao. Yi xue ban = Journal of Peking University. Health sciences.
2012 Jun; 44(3):421-5. doi:
. [PMID: 22692315] - Tatsuya Kunisue, Zhen Chen, Germaine M Buck Louis, Rajeshwari Sundaram, Mary L Hediger, Liping Sun, Kurunthachalam Kannan. Urinary concentrations of benzophenone-type UV filters in U.S. women and their association with endometriosis.
Environmental science & technology.
2012 Apr; 46(8):4624-32. doi:
10.1021/es204415a. [PMID: 22417702] - M Isabel Vázquez, Laura Peláez, Juana Benavente, J Manuel López-Romero, Rodrigo Rico, Jesus Hierrezuelo, Elena Guillén, M Rosa López-Ramírez. Functionalized lipid nanoparticles-cellophane hybrid films for molecular delivery: preparation, physicochemical characterization, and stability.
Journal of pharmaceutical sciences.
2011 Nov; 100(11):4815-22. doi:
10.1002/jps.22688. [PMID: 21713774] - Yue-Ying He, Bao-Xu Zhang, Feng-Lan Jia. Protective effects of 2,4-dihydroxybenzophenone against acetaminophen-induced hepatotoxicity in mice.
World journal of gastroenterology.
2011 Jun; 17(21):2663-6. doi:
10.3748/wjg.v17.i21.2663. [PMID: 21677837] - Antonio Nieto, Francesc Borrull, Rosa Maria Marcé, Eva Pocurull. Determination of personal care products in sewage sludge by pressurized liquid extraction and ultra high performance liquid chromatography-tandem mass spectrometry.
Journal of chromatography. A.
2009 Jul; 1216(30):5619-25. doi:
10.1016/j.chroma.2009.05.061. [PMID: 19539941] - Nicolas Cabaton, Coralie Dumont, Isabelle Severin, Elisabeth Perdu, Daniel Zalko, Mustapha Cherkaoui-Malki, Marie-Christine Chagnon. Genotoxic and endocrine activities of bis(hydroxyphenyl)methane (bisphenol F) and its derivatives in the HepG2 cell line.
Toxicology.
2009 Jan; 255(1-2):15-24. doi:
10.1016/j.tox.2008.09.024. [PMID: 18973785] - Antonia M Calafat, Lee-Yang Wong, Xiaoyun Ye, John A Reidy, Larry L Needham. Concentrations of the sunscreen agent benzophenone-3 in residents of the United States: National Health and Nutrition Examination Survey 2003--2004.
Environmental health perspectives.
2008 Jul; 116(7):893-7. doi:
10.1289/ehp.11269. [PMID: 18629311] - Helena Gonzalez, Carl-Eric Jacobson, Ann-Marie Wennberg, Olle Larkö, Anne Farbrot. Solid-phase extraction and reverse-phase HPLC: application to study the urinary excretion pattern of benzophenone-3 and its metabolite 2,4-dihydroxybenzophenone in human urine.
Analytical chemistry insights.
2008 Jan; 3(?):1-7. doi:
10.4137/aci.s396. [PMID: 19609385] - Marjoke Heneweer, Martine Muusse, Martin van den Berg, J Thomas Sanderson. Additive estrogenic effects of mixtures of frequently used UV filters on pS2-gene transcription in MCF-7 cells.
Toxicology and applied pharmacology.
2005 Oct; 208(2):170-7. doi:
10.1016/j.taap.2005.02.006. [PMID: 16183391] - Hong Fang, Weida Tong, William S Branham, Carrie L Moland, Stacy L Dial, Huixiao Hong, Qian Xie, Roger Perkins, William Owens, Daniel M Sheehan. Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.
Chemical research in toxicology.
2003 Oct; 16(10):1338-58. doi:
10.1021/tx030011g. [PMID: 14565775]
