2,2,4,4-Tetrahydroxybenzophenone (BioDeep_00000271432)

   

Industrial Pollutants


代谢物信息卡片


2,2`,4,4`-Tetrahydroxybenzophenone

化学式: C13H10O5 (246.0528)
中文名称: 2,2,4,4-四羟基二苯甲酮, 2,2',4,4'-四羟基二苯甲酮, 2,2',4,4'-四羟基二苯甲酮
谱图信息: 最多检出来源 Viridiplantae(plant) 100%

分子结构信息

SMILES: C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O
InChI: InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3571; ORIGINAL_PRECURSOR_SCAN_NO 3569
CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3562; ORIGINAL_PRECURSOR_SCAN_NO 3559
CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3550; ORIGINAL_PRECURSOR_SCAN_NO 3546
CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3558; ORIGINAL_PRECURSOR_SCAN_NO 3554
CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3569; ORIGINAL_PRECURSOR_SCAN_NO 3564
CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3561; ORIGINAL_PRECURSOR_SCAN_NO 3557
CONFIDENCE standard compound; INTERNAL_ID 8331

同义名列表

4 个代谢物同义名

2,2,4,4-Tetrahydroxybenzophenone; 2,2`,4,4`-Tetrahydroxybenzophenone; BP-2; 2,2',4,4'-Tetrahydroxybenzophenone



数据库引用编号

11 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


文献列表

  • Sandra Ochensberger, Fabian Alperth, Božena Mitić, Olaf Kunert, Stefanie Mayer, Maria Ferreira Mourão, Ivana Turek, Simon Vlad Luca, Krystyna Skalicka-Woźniak, Željan Maleš, Dario Hruševar, Ivan Duka, Franz Bucar. Phenolic compounds of Iris adriatica and their antimycobacterial effects. Acta pharmaceutica (Zagreb, Croatia). 2019 Dec; 69(4):673-681. doi: 10.2478/acph-2019-0037. [PMID: 31639092]
  • Luigi Lopardo, David Adams, Andrew Cummins, Barbara Kasprzyk-Hordern. Verifying community-wide exposure to endocrine disruptors in personal care products - In quest for metabolic biomarkers of exposure via in vitro studies and wastewater-based epidemiology. Water research. 2018 10; 143(?):117-126. doi: 10.1016/j.watres.2018.06.028. [PMID: 29940357]
  • Jonathan T Haselman, Maki Sakurai, Naoko Watanabe, Yasushi Goto, Yuta Onishi, Yuki Ito, Yu Onoda, Patricia A Kosian, Joseph J Korte, Rodney D Johnson, Taisen Iguchi, Sigmund J Degitz. Development of the Larval Amphibian Growth and Development Assay: Effects of benzophenone-2 exposure in Xenopus laevis from embryo to juvenile. Journal of applied toxicology : JAT. 2016 12; 36(12):1651-1661. doi: 10.1002/jat.3336. [PMID: 27241388]
  • Jeremy A Leonard, Yu-Mei Tan, Mary Gilbert, Kristin Isaacs, Hisham El-Masri. Estimating Margin of Exposure to Thyroid Peroxidase Inhibitors Using High-Throughput in vitro Data, High-Throughput Exposure Modeling, and Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling. Toxicological sciences : an official journal of the Society of Toxicology. 2016 05; 151(1):57-70. doi: 10.1093/toxsci/kfw022. [PMID: 26865668]
  • Victor Kuete, Patricia D Tchakam, Benjamin Wiench, Bathelemy Ngameni, Hippolyte K Wabo, Michel F Tala, Marlyse L Moungang, Bonaventure T Ngadjui, Tetsuya Murayama, Thomas Efferth. Cytotoxicity and modes of action of four naturally occuring benzophenones: 2,2',5,6'-tetrahydroxybenzophenone, guttiferone E, isogarcinol and isoxanthochymol. Phytomedicine : international journal of phytotherapy and phytopharmacology. 2013 Apr; 20(6):528-36. doi: 10.1016/j.phymed.2013.02.003. [PMID: 23507522]
  • Armin Zenker, Hansruedi Schmutz, Karl Fent. Simultaneous trace determination of nine organic UV-absorbing compounds (UV filters) in environmental samples. Journal of chromatography. A. 2008 Aug; 1202(1):64-74. doi: 10.1016/j.chroma.2008.06.041. [PMID: 18632108]
  • Christiane Schlecht, Holger Klammer, Holm Frauendorf, Wolfgang Wuttke, Hubertus Jarry. Pharmacokinetics and metabolism of benzophenone 2 in the rat. Toxicology. 2008 Mar; 245(1-2):11-7. doi: 10.1016/j.tox.2007.12.015. [PMID: 18242814]
  • Cornelia Schmutzler, Anja Bacinski, Inka Gotthardt, Katrin Huhne, Petra Ambrugger, Holger Klammer, Christiane Schlecht, Cuong Hoang-Vu, Annette Grüters, Wolfgang Wuttke, Hubertus Jarry, Josef Köhrle. The ultraviolet filter benzophenone 2 interferes with the thyroid hormone axis in rats and is a potent in vitro inhibitor of human recombinant thyroid peroxidase. Endocrinology. 2007 Jun; 148(6):2835-44. doi: 10.1210/en.2006-1280. [PMID: 17379648]
  • Christiane Schlecht, Holger Klammer, Wolfgang Wuttke, Hubertus Jarry. A dose-response study on the estrogenic activity of benzophenone-2 on various endpoints in the serum, pituitary and uterus of female rats. Archives of toxicology. 2006 Oct; 80(10):656-61. doi: 10.1007/s00204-006-0085-1. [PMID: 16586070]
  • Dana Seidlová-Wuttke, Hubertus Jarry, Julie Christoffel, Guillermo Rimoldi, Wolfgang Wuttke. Effects of bisphenol-A (BPA), dibutylphtalate (DBP), benzophenone-2 (BP2), procymidone (Proc), and linurone (Lin) on fat tissue, a variety of hormones and metabolic parameters: a 3 months comparison with effects of estradiol (E2) in ovariectomized (ovx) rats. Toxicology. 2005 Sep; 213(1-2):13-24. doi: 10.1016/j.tox.2005.05.001. [PMID: 15951094]
  • D Seidlová-Wuttke, H Jarry, W Wuttke. Pure estrogenic effect of benzophenone-2 (BP2) but not of bisphenol A (BPA) and dibutylphtalate (DBP) in uterus, vagina and bone. Toxicology. 2004 Dec; 205(1-2):103-12. doi: 10.1016/j.tox.2004.06.042. [PMID: 15458795]
  • Hubertus Jarry, Julie Christoffel, Guillermo Rimoldi, Lilli Koch, Wolfgang Wuttke. Multi-organic endocrine disrupting activity of the UV screen benzophenone 2 (BP2) in ovariectomized adult rats after 5 days treatment. Toxicology. 2004 Dec; 205(1-2):87-93. doi: 10.1016/j.tox.2004.06.040. [PMID: 15458793]