2,2',4,4'-tetrabromodiphenyl ether profile

2,2',4,4'-tetrabromodiphenyl ether (BDE-47) is a highly persistent and bioaccumulative brominated flame retardant. It was widely used in a variety of consumer products such as electronics, textiles, and furniture. BDE-47 has been shown to have adverse effects on human health, including endocrine disruption, neurodevelopmental toxicity, and immunotoxicity. Its persistence and bioaccumulation have resulted in its widespread contamination of the environment, including air, water, and soil. It is of concern because of its potential to biomagnify in food chains, ultimately impacting human health. The compound has been extensively studied to understand its environmental fate, toxicity, and potential for remediation. This information is critical for developing strategies to reduce its use and manage its environmental contamination.'

ID Source	ID
PubMed CID	95170
CHEMBL ID	229760
CHEBI ID	81584
SCHEMBL ID	899494
MeSH ID	M0499330

Synonym
4,4'-oxybis(1,3-dibromobenzene)
nsc-21724
nsc21724 ,
dibromophenyl ether
5436-43-1
2,2',4,4'-tetrabromobiphenyl ether
bde 47
2,2,4,4-tetrabromodiphenyl ether
2,2'4,4'-tetrabromodiphenyl ether
NCGC00090912-01
MLS001065577
smr000568461
benzene, 1,1'-oxybis(2,4-dibromo-
pbde 47
bde-47
2,2',4,4'-tetrabromodiphenyl ether
nsc 21724
1,1'-oxybis(2,4-dibromobenzene)
pbde-47
chebi:81584 ,
CHEMBL229760
2,2',4,4' tetrabromodiphenyl ether
C18205
2,4-dibromo-1-(2,4-dibromophenoxy)benzene
NCGC00090912-02
HMS3039P04
dtxsid3030056 ,
tox21_200327
cas-5436-43-1
dtxcid1010056
NCGC00257881-01
0n97r5x10x ,
unii-0n97r5x10x
AKOS016011206
benzene, 2,4-dibromo-1-(2,4-dibromophenoxy)-
2,2',4,4'-tetrabromodiphenyl oxide
2,4,2',4'-tetrabromodiphenyl ether
2,2',4,4'-tetrabromodiphenyl ether [mi]
SCHEMBL899494
c12h6br4o
XYBSIYMGXVUVGY-UHFFFAOYSA-N
2,2',4,4'-tetrabromodiphenylether
1,1'-oxybis[2,4-dibromobenzene]
benzene, 1,1'-oxybis[2,4-dibromo-
pbde no. 47
pbde no. 47 100 microg/ml in methanol
1,1'-oxybis[2,4-dibromobenzene], 9ci
2,2',4,4'-tetrabde
1,1'-oxybis(2,4-dibromo-benzene
bde no 47, analytical reference material
DS-6407
bde-47(2,2',4,4'-tetrabromodiphenyl ether)
Q27155474
H10983
mfcd00626457
2,2 inverted exclamation mark ,4,4 inverted exclamation mark -tetrabromodiphenyl ether
SY112194
A913792
pbde no. 47 1000 microg/ml in methanol
pbde 47 50 microg/ml in nonane

Research Excerpts

Toxicity

2,2',4,4'-tetrabromodiphenyl ether (BDE-47) is one of the main and toxic congeners of polybrominated diphenyl Ether (PBDE) family. It is considered to be associated with the development of obesity.

Excerpt	Reference	Relevance
" The highest body burden has been found in toddlers and infants, due to their exposure through breast milk and house dust, and the current concern for potential adverse health effects of PBDEs relates to their developmental neurotoxicity."	( Low concentrations of the brominated flame retardants BDE-47 and BDE-99 induce synergistic oxidative stress-mediated neurotoxicity in human neuroblastoma cells. Alinovi, R; Caglieri, A; Costa, LG; Giordano, G; Goldoni, M; Mutti, A; Pellacani, C; Pinelli, S; Poli, D; Tagliaferri, S, 2010)	0.36
" Collectively, the results of cell viability, LDH leakage, cell apoptosis and ROS formation demonstrated that the toxic mechanism of PBDEs on RTG-2 might be mediated by oxidative stress."	( Cytotoxicity and apoptosis induction on RTG-2 cells of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) and decabrominated diphenyl ether (BDE-209). Hui, Y; Jin, S; Liu, J; Lu, Y; Xu, Y; Yang, F, 2010)	0.61
" We found a high toxic potency of BDE-47 compared to BDE-99 (LC₅₀ values for embryos and larvae, respectively, BDE-47: 27."	( Acute toxicity of polybrominated diphenyl ethers (PBDEs) for turbot (Psetta maxima) early life stages (ELS). Beiras, R; Boumaiza, M; Fumega, J; Mhadhbi, L, 2012)	0.38
"The toxic effects of two brominated diphenyl ethers (BDE), BDE-47, and BDE-183, on a benthic oligochaete tubificid, Monopylephorus limosus were studied under laboratory conditions."	( Toxic effects of two brominated flame retardants BDE-47 and BDE-183 on the survival and protein expression of the tubificid Monopylephorus limosus. Chiu, KH; Huang, HW; Lin, CR; Liu, LL; Shiea, J, 2012)	0.38
" Our results suggest that short-term exposure to low-dose BDE47 may have adverse effects on semen quality and spermatogenesis in adult male mice."	( Adverse effects of 2,2',4,4'-tetrabromodiphenyl ether on semen quality and spermatogenesis in male mice. Li, J; Li, L; Liu, D; Shi, J; Tang, C; Wang, Y, 2013)	0.72
"Because polycyclic aromatic hydrocarbons (PAHs) and polybrominated diphenylethers (PBDEs) are ubiquitous and coexist in the environment and in wildlife, there are potential interactions between them that could cause toxic effects."	( Modulation of benzo[a]pyrene-induced toxic effects in Japanese medaka (Oryzias latipes) by 2,2',4,4'-tetrabromodiphenyl ether. Fan, Z; Hu, J; Huang, C; Luo, K; Zhao, Y, 2013)	0.61
" This study examined the toxic effects of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) and decabromodiphenyl ether (BDE-209) on the immune system by using peritoneal macrophages as the model."	( In vitro immune toxicity of polybrominated diphenyl ethers on murine peritoneal macrophages: apoptosis and immune cell dysfunction. Guo, LH; Lv, QY; Wan, B; Yang, Y; Zhao, L, 2015)	0.68
"The toxic effects of three polybrominated diphenyl ether (PBDE) congeners (BDE-47, -99, and -209), tetrabromobisphenol A (TBBPA) and bisphenol A (BPA), were evaluated by determining their 24h and 96 h median lethal concentrations using a zebrafish liver cell line, ZFL."	( Evaluation of the toxic effects of brominated compounds (BDE-47, 99, 209, TBBPA) and bisphenol A (BPA) using a zebrafish liver cell line, ZFL. Chan, KM; Yang, J, 2015)	0.42
" Taken together, these results demonstrate the importance of usage of an internal dose to assess the toxic effects of PBDEs."	( Bioaccumulation, biotransformation, and toxicity of BDE-47, 6-OH-BDE-47, and 6-MeO-BDE-47 in early life-stages of zebrafish (Danio rerio). Giesy, JP; Hecker, M; Liu, C; Liu, H; Ma, Z; Saunders, DM; Tang, S; Yu, H; Zhang, X; Zheng, X; Zhu, Y, 2015)	0.42
" Unlike other extensively reported congeners, BDE-154 was only toxic at the higher tested concentrations, whereas BDE-47 cytotoxicity was evident even at lower concentrations."	( Evaluation of Polybrominated Diphenyl Ether Toxicity on HepG2 Cells - Hexabrominated Congener (BDE-154) Is Less Toxic than Tetrabrominated Congener (BDE-47). Dorta, DJ; Duarte, FV; Oliveira, AM; Oliveira, DP; Palmeira, CM; Pereira, LC; Souza, AO; Tasso, MJ, 2016)	0.43
" Due to its devastating effect on marine organisms and insufficient database on toxicology, we investigated the adverse effects of BDE-47 on life parameters and antioxidant defense system following the reactive oxygen species (ROS) production in the monogonont rotifer Brachionus koreanus."	( Adverse effects of BDE-47 on life cycle parameters, antioxidant system, and activation of MAPK signaling pathway in the rotifer Brachionus koreanus. Han, J; Hwang, DS; Jeong, CB; Kang, HM; Lee, JS; Lee, MC; Park, JC; Wang, M, 2017)	0.46
" In this study, we chose BDE-47 as a representative PBDEs, to investigate its toxic effects on two microalgal species and the response of their antioxidant system."	( Response of photosynthesis and the antioxidant defense system of two microalgal species (Alexandrium minutum and Dunaliella salina) to the toxicity of BDE-47. Li, Y; Quigg, A; Santschi, PH; Wang, Y; Zhao, Y, 2017)	0.46
"To investigate the toxic effect and mechanism of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) in aquatic plants, in vivo and in vitro exposure to BDE-47 were conducted."	( Toxic effects and mechanism of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) on Lemna minor. Jiang, D; Meng, Y; Qiu, N; Sun, Y; Wang, R; Wang, X; Zhou, F, 2018)	1.02
" As one of the most prevalent and toxic PBDE congeners in the environment, 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) and its oxidative stress deserves more attention."	( Glutathione-Ascorbate Cycle Is an Early Warning Indicator of Toxicity of BDE-47 in Mangroves. Tam, NFY; Wang, Y, 2018)	0.71
" Therefore, it is necessary to assess the toxic effects of those kind of industrial chemicals during liver development."	( Establishment of a human embryonic stem cell-based liver differentiation model for hepatotoxicity evaluations. Faiola, F; Liang, S; Yin, N, 2019)	0.51
" BDE-47 was more toxic than BDE-99, followed by BDE-153, indicating their toxicity decreased as bromination degree increases."	( Toxicity of BDE-47, BDE-99 and BDE-153 on swimming behavior of the unicellular marine microalgae Platymonas subcordiformis and implications for seawater quality assessment. Chen, B; Lin, X; Qu, K; Sun, X; Xia, B; Zhao, X, 2019)	0.51
" In order to explore the toxic effects of polybrominated diphenyl ethers (BDE-47) combined with microplastics on marine organisms, we exposed the marine mussel Mytilus coruscus to micro-PS combined with BDE-47 for 21 days to determine the immune defense, oxidative stress and energy metabolism of the mussels."	( Microplastics aggravate the adverse effects of BDE-47 on physiological and defense performance in mussels. Gu, H; Hu, M; Li, L; Shang, Y; Shi, H; Wang, X; Wang, Y; Wei, H; Wei, S, 2020)	0.56
" Here, we evaluated the toxic effect and underlying mechanism of nuclear receptors (NRs) induced by BDE-47 in SK-N-SH human neuroblastoma cells."	( Interaction of BDE-47 with nuclear receptors (NRs) based on the cytotoxicity: In vitro investigation and molecular interaction. Li, Y; Song, J; Zhang, J; Zhao, C; Zhou, Q, 2021)	0.62
" The use of halogen-free flame retardants (HFFR) has increased as a safer alternative, but little information is available on their toxic potential for environmental health and for developing organisms."	( A comparison of developmental toxicity of brominated and halogen-free flame retardant on zebrafish. Abe, FR; de Oliveira, AÁS; Dorta, DJ; Marino, RV; Oliveira, DP; Rialto, TCR, 2021)	0.62
" Perturbations of these endpoints are described as common key events in adverse outcome pathways (AOPs) specific for DNT."	( Combining in vitro assays and mathematical modelling to study developmental neurotoxicity induced by chemical mixtures. Bal-Price, A; Bopp, SK; Carpi, D; Mendoza-de Gyves, E; Paini, A; Pistollato, F; Worth, A, 2021)	0.62
"2,2',4,4'-Tetrabromodiphenyl ether (BDE-47) is one of the main and toxic congeners of polybrominated diphenyl ether (PBDE) family and considered to be associated with the development of obesity."	( Lipid metabolism dysfunction and toxicity of BDE-47 exposure in white adipose tissue revealed by the integration of lipidomics and metabolomics. Cai, Z; Cao, G; Wei, J; Yang, C, 2022)	2.16
" BDE-47 has been found to have toxic effects on bivalves, however, the immunotoxicity and the underlying mechanisms of BDE-47 on bivalves are not well understood yet."	( In vitro immunotoxicity and possible mechanisms of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) on Ruditapes philippinarum hemocytes. Liu, J; Zhou, S, 2022)	0.97
"2, 2', 4, 4'-tetrabromodiphenyl ether (BDE-47) is one of the most important polybrominated diphenyl ethers (PBDEs) congeners, and epidemiological studies have shown that it can cause adverse pregnancy outcomes."	( 2, 2', 4, 4'-tetrabromodiphenyl ether induces placental toxicity via activation of p38 MAPK signaling pathway in vivo and in vitro. Cao, X; Fu, Z; Li, S; Liu, P; Liu, W; Xi, S; Zhou, Q, 2022)	0.72
"The potential adverse effects of 2,2',4,4'-tetrabromodiphenyl ether (PBDE-47) on neurons are extensively studied, and mitochondria are identified as critical targets."	( PBDE-47 induces impairment of mitochondrial biogenesis and subsequent neurotoxicity through miR-128-3p/PGC-1α axis. Li, D; Li, J; Song, L; Tian, Z; Wang, A; Xia, T; Xie, L, 2023)	1.19
" This study highlights the single and combined toxic effects of polystyrene nanoplastics (PS-NPs) and 2,2 ',4,4 '-tetrabromodiphenyl ether (BDE-47, one of the major PBDE congeners) on zebrafish embryos after an exposure of up to 120 hpf."	( Neuro- and hepato-toxicity of polystyrene nanoplastics and polybrominated diphenyl ethers on early life stages of zebrafish. Chen, G; Chen, Y; Gao, D; Junaid, M; Kong, C; Tian, L; Wang, J; Wang, Q, 2023)	0.91
" The toxic mechanism was further revealed through biochemical analyses and multivariate statistics."	( Binary toxicity of polystyrene nanoplastics and polybrominated diphenyl ethers to Arctic Cyanobacteria under ambient and future climates. Chen, B; Péquin, B; Song, P; Song, X; Xin, X; Yang, M; Zhang, B, 2022)	0.72
"Polybrominated biphenyl ethers (PBDEs) are new persistent pollutants that are widely exist in the environment and have many toxic effects."	( Behavioral changes and transcriptomic effects at embryonic and post-embryonic stages reveal the toxic effects of 2,2',4,4'-tetrabromodiphenyl ether on neurodevelopment in zebrafish (Danio rerio). Huang, W; Liu, C; Peng, J; Shi, X; Tan, W; Wu, K; Wu, R; Zhang, Q; Zheng, S, 2022)	0.93

Pharmacokinetics

Excerpt	Reference	Relevance
" The objective of this study was to develop a physiologically based pharmacokinetic (PBPK) model for BDE-47 in male and female (pregnant and non-pregnant) adult rats to facilitate investigations of developmental exposure."	( A physiologically based pharmacokinetic model for developmental exposure to BDE-47 in rats. Birnbaum, LS; Emond, C; Garner, CE; Raymer, JH; Studabaker, WB, 2010)	0.36
" Thus, the primary objective of this study was to examine the mechanism of urinary elimination of BDE-47 in adult mice using a physiologically based pharmacokinetic (PBPK) model."	( Proposed mechanistic description of dose-dependent BDE-47 urinary elimination in mice using a physiologically based pharmacokinetic model. Birnbaum, LS; Emond, C; Sanders, JM; Wikoff, D, 2013)	0.39
" The associations may be biased by growth dilution and pharmacokinetic changes during pubertal development."	( Pharmacokinetic bias analysis of the epidemiological associations between serum polybrominated diphenyl ether (BDE-47) and timing of menarche. Andersen, ME; Clewell, HJ; Longnecker, MP; Peeples, CR; Song, G; Verner, MA; Wu, H; Yoon, M, 2016)	0.43
"To use a physiologically-based pharmacokinetic (PBPK) model to assess how much of the epidemiologic association between PBDE and altered timing of menarche might be attributable to growth dilution and pubertal maturation."	( Pharmacokinetic bias analysis of the epidemiological associations between serum polybrominated diphenyl ether (BDE-47) and timing of menarche. Andersen, ME; Clewell, HJ; Longnecker, MP; Peeples, CR; Song, G; Verner, MA; Wu, H; Yoon, M, 2016)	0.43
" Unique data from Australia provide an opportunity to study this finding using simple pharmacokinetic (PK) models."	( Use of a simple pharmacokinetic model to study the impact of breast-feeding on infant and toddler body burdens of PCB 153, BDE 47, and DDE. Lorber, M; Toms, LL, 2017)	0.46

Compound-Compound Interactions

The aim of the current study was to evaluate the cytogenotoxic effects induced by 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) combined with solar ultraviolet-B radiation (UV-B) in human neuroblastoma cells.

Excerpt	Reference	Relevance
"To investigate the cyto-genotoxicity of 2, 2', 4, 4'-tetrabromodiphenyl ethers (PBDE-47) combined with 2, 2', 4, 4', 5-hexachlorobiphenyl (PCB153) treatment in SH-SY5Y cells."	( [Cyto-genotoxicity induced by 2, 2', 4, 4'-tetrabromodiphenyl ethers combined with 2, 2', 4, 4', 5-hexachlorobiphenyl treatment in SH-SY5Y cells]. Chen, XM; Gao, P; He, WH; Wang, AG; Xia, T; Xu, BY; Xu, ZX; Zhang, M, 2008)	0.35
"05) in the PBDE-47 combined with PCB153 groups."	( [Cyto-genotoxicity induced by 2, 2', 4, 4'-tetrabromodiphenyl ethers combined with 2, 2', 4, 4', 5-hexachlorobiphenyl treatment in SH-SY5Y cells]. Chen, XM; Gao, P; He, WH; Wang, AG; Xia, T; Xu, BY; Xu, ZX; Zhang, M, 2008)	0.35
"Some dose of PBDE-47 combined with PCB153 can inhibit cell viability, induce DNA damage, DPC formation, and chromosome abnormalities."	( [Cyto-genotoxicity induced by 2, 2', 4, 4'-tetrabromodiphenyl ethers combined with 2, 2', 4, 4', 5-hexachlorobiphenyl treatment in SH-SY5Y cells]. Chen, XM; Gao, P; He, WH; Wang, AG; Xia, T; Xu, BY; Xu, ZX; Zhang, M, 2008)	0.35
" The aim of the current study was to evaluate the cytogenotoxic effects induced by 2,2',4,4'-tetrabromodiphenyl ether (PBDE-47) combined with 2,2',4,4',5,5'-hexachlorobiphenyl (PCB153) treatment in human neuroblastoma cells (SH-SY5Y) in vitro."	( Cytogenotoxicity induced by PBDE-47 combined with PCB153 treatment in SH-SY5Y cells. Chen, X; Gao, P; He, P; He, W; Wang, A; Xia, T; Xu, B; Xu, Z, 2010)	0.59
" We conclude that PBDE-47 may induce developmental neurotoxicity in rats via three classic apoptosis pathways, and it may interact with PCB153 to enhance developmental neurotoxicity."	( Mechanisms underlying the developmental neurotoxic effect of PBDE-47 and the enhanced toxicity associated with its combination with PCB153 in rats. Chen, XM; Gao, P; Guo, LJ; He, P; Niu, Q; Wang, AG; Xia, T, 2009)	0.35
"Ecotoxicological methods were applied in the present study, and the marine rotifer Brachionus plicatilis was used as the toxic endpoint to depict what occurred when 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) was combined with solar ultraviolet-B radiation (UV-B)."	( Is it photosensitization or photodegradation when UV-B irradiation is combined with BDE-47? Evidence from the growth and reproduction changes of rotifer Brachionus plicatilis. Jiang, Y; Liu, C; Lv, M; Tang, X; Wang, Y; Zang, Y; Zhou, B, 2018)	0.68

Bioavailability

Excerpt	Reference	Relevance
" In order to determine the bioavailability and bioconcentration potential of these PBDEs, we have conducted a feeding experiment in rats, dosing with low amounts of a commercial penta-BDE mixture for 21 days to mimic an environmental exposure."	( Bioavailability and mass balance studies of a commercial pentabromodiphenyl ether mixture in male Sprague-Dawley rats. Hakk, H; Huwe, J; Lorentzsen, M, 2007)	0.34
" The main reason for their concentration decrease or absence in biota may be due to low bioavailability potential or due to biotransformation processes."	( Congener distribution of polybrominated diphenyl ethers in feral carp (Cyprinus carpio) from the Llobregat River, Spain. Barceló, D; Eljarrat, E; Labandeira, A, 2007)	0.34
" Thus, temperature and aging had a minor effect on bioavailability estimates."	( Examining the role of temperature and sediment-chemical contact time on desorption and bioavailability of sediment-associated tetrabromo diphenyl ether and benzo(a)pyrene. Kukkonen, JV; Leppänen, MT; Sormunen, AJ, 2009)	0.35
"Few studies have been conducted examining the distribution of different-sized particles in sediment and its potential impact on bioavailability of sediment-associated contaminants."	( Bioavailability of hydrophobic organic contaminants in sediment with different particle-size distributions. Li, H; Lydy, MJ; Mehler, WT; Pang, J; Sun, B; You, J, 2011)	0.37
" These findings indicated evidence of the bioavailability of BDE-153 from food in the form of debrominated metabolites and oxidative metabolites in freshwater fish, which is critical to understanding the complete risks associated with PBDE bioaccumulation and metabolism in humans and wildlife."	( Bioaccumulation, distribution and metabolism of BDE-153 in the freshwater fish Carassius auratus after dietary exposure. Liu, J; Lu, G; Yan, Z; Zhang, F; Zhang, Z, 2014)	0.4
" However, the microbial bioavailability of PBDEs in aquatic sediments is not well understood."	( Microbial bioavailability of 2,2',4,4'-Tetrabromodiphenyl ether (BDE-47) in natural sediments from major rivers of China. Lu, X; Wu, S; Xia, X; Yin, X; Zhu, B, 2016)	0.73
"In this study, we investigated the influence of various types of carbonaceous materials (CMs) on the bioavailability of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) to polybrominated diphenyl ether (PBDE)-degrading microorganisms in CM-amended sediments."	( Effects of carbonaceous materials on microbial bioavailability of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) in sediments. Liu, T; Lu, X; Wu, S; Xia, N; Xia, X; Zhang, X; Zhu, B, 2016)	0.88
" However, little is known about the impacts of straw residue incorporation on the bioavailability of organic pollutants and associated changes in microbial community structure in contaminated soils."	( Reducing plant uptake of a brominated contaminant (2,2',4,4'‑tetrabrominated diphenyl ether) by incorporation of maize straw into horticultural soil. Bian, Y; Jiang, X; Redmile-Gordon, M; Sheng, H; Wang, F; Xiang, L; Xu, M; Yang, X, 2019)	0.51
" xenovorans LB400, the biodegradation of 2,2',4,4'-tetrabrominated diphenyl ether (BDE-47) occurred efficiently in conformity to the first-order kinetics and showed the strong dependence on initial concentration of pollutant and bioavailability regulation by biosurfactant."	( Understanding the role of bacterial cellular adsorption, accumulation and bioavailability regulation by biosurfactant in affecting biodegradation efficacy of polybrominated diphenyl ethers. Bian, Y; Cai, J; Fan, X; Gu, C; Jiang, X; Sun, C; Ti, Q; Zhang, Y, 2020)	0.56
" However, studies on the bioavailability and transformation of PBDEs and their derivatives in soil organisms remain scarce."	( Biotransformation kinetics and pathways of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) and its hydroxylated and methoxylated derivatives (6-OH-BDE-47 and 6-MeO-BDE-47) in earthworms (Eisenia fetida). Li, Y; Wang, G; Xu, X; Zhang, Y, 2023)	1.17
" The effects of polymer aging on co-contaminants bioavailability were assessed by measuring changes in the transcriptional profile of genes involved in oxidative-stress response and skeletogenic and endo-mesodermal specification."	( Polymer aging affects the bioavailability of microplastics-associated contaminants in sea urchin embryos. Bennici, CD; Carroccio, SC; Cocca, M; Cuttitta, A; Dattilo, S; Di Natale, MV; Masullo, T; Mazzola, A; Musco, M; Nicosia, A; Russo, S; Torri, M, 2022)	0.72
"Nanoplastics (NPs) are good carriers of persistent organic pollutants (POPs) such as polybrominated diphenyl ethers (PBDEs) and can modify their bioavailability and toxicity to aquatic organisms."	( Neuro- and hepato-toxicity of polystyrene nanoplastics and polybrominated diphenyl ethers on early life stages of zebrafish. Chen, G; Chen, Y; Gao, D; Junaid, M; Kong, C; Tian, L; Wang, J; Wang, Q, 2023)	0.91

Dosage Studied

Excerpt	Relevance	Reference
" In order to determine the bioavailability and bioconcentration potential of these PBDEs, we have conducted a feeding experiment in rats, dosing with low amounts of a commercial penta-BDE mixture for 21 days to mimic an environmental exposure."	( Bioavailability and mass balance studies of a commercial pentabromodiphenyl ether mixture in male Sprague-Dawley rats. Hakk, H; Huwe, J; Lorentzsen, M, 2007)	0.34
" Mice were dosed with PBDE-47 on postnatal day 10, and serum collected either 1, 5, or 10 days after the dose."	( Lack of alterations in thyroid hormones following exposure to polybrominated diphenyl ether 47 during a period of rapid brain development in mice. Gee, JR; Hedge, JM; Moser, VC, 2008)	0.35
" The dose-response of BDE toxicity differed among the two cell lines, with the RTL-W1 liver cells showing greater resistance to toxicity at lower BDE 47 doses, but a more dramatic loss of viability relative to gill cells when challenged with higher (50 microM) doses."	( Comparative oxygen radical formation and toxicity of BDE 47 in rainbow trout cell lines. Eckert, ML; Gallagher, EP; Lee, LE; Shao, J, 2008)	0.35
"In this study, zebrafish (Danio rerio) were fed food dosed with pure PBDE-47 (2,2',4,4'-tetrabromodiphenyl ether) congener or a blank from 20 to 60 day post-hatch (dph)."	( Growth and transcriptional effect of dietary 2,2',4,4'-tetrabromodiphenyl ether (PBDE-47) exposure in developing zebrafish (Danio rerio). Chen, TH; Cheng, JO; Cheng, YM; Chou, CT; Hsiao, YC; Ko, FC, 2010)	0.85
" Zebrafish were fed food dosed with PBDE-47 (control, solvent control, low, medium, and high dose groups) from 21 days post hatch (dph) to 90 dph."	( Chronic exposure of 2,2',4,4'-tetrabromodiphenyl ether (PBDE-47) alters locomotion behavior in juvenile zebrafish (Danio rerio). Chen, TH; Cheng, JO; Cheng, YM; Chou, CT; Hsiao, YC; Ko, FC, 2010)	0.68
" Orally dosed BDE-47 was readily absorbed from the gut of chickens and was estimated to be 73% bioavailable."	( Metabolism of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) in chickens. Hakk, H; Huwe, JK; Murphy, K; Rutherford, D, 2010)	0.72
" Blood levels of BDE-47 in the dosed dams were within the range reported in humans."	( Bioaccumulation and behavioral effects of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) in perinatally exposed mice. Aronov, PA; Berman, RF; Golub, MS; Koenig, CM; Pessah, IN; Qi, L; Ta, TA, )	0.4
" Developing mice were exposed during gestation and lactation via dams dosed through casein- or salmon-based feed, spiked with BDE47."	( Cerebral gene expression and neurobehavioural development after perinatal exposure to an environmentally relevant polybrominated diphenylether (BDE47). Brattelid, T; Carroll, T; Folven, KI; Glover, C; Haave, M; Heegaard, E; Hogstrand, C; Lundebye, AK, 2011)	0.37
" It is now possible to make a dose-response curve up to 50% inhibition with bioactivated CB 77 and BDE 47."	( New approaches to assess the transthyretin binding capacity of bioactivated thyroid hormone disruptors. Bergman, A; Cocco, E; Guignard, C; Gutleb, AC; Hoffmann, L; Marsh, G; Montaño, M; Murk, AJ, 2012)	0.38
" Eggs were topically dosed over 8 d to achieve a target concentration of 40 ng/g in the egg contents."	( Experimental exposure of eggs to polybrominated diphenyl ethers BDE-47 and BDE-99 in red-eared sliders (Trachemys scripta elegans) and snapping turtles (Chelydra serpentina) and possible species-specific differences in debromination. Eisenreich, KM; Rowe, CL, 2013)	0.39
" Male and female three-month-old were fed a diet of BDE-47 contaminated Artemia at low dosage (290."	( Gender-specific transcriptional profiling of marine medaka (Oryzias melastigma) liver upon BDE-47 exposure. Au, DW; Bo, J; Chan, AK; Chen, Y; Fong, CC; Shi, YF; van de Merwe, JP; Wei, F; Wu, RS; Yang, MS; Ye, R; Yu, WK, 2013)	0.39
" This experimental set up demonstrated high reproducibility and sensitivity for dosing control and distribution of particles."	( Toxicity assessment of air-delivered particle-bound polybrominated diphenyl ethers. Flor, S; Kim, JS; Klösener, J; Ludewig, G; Luthe, G; Peters, TM; Robertson, LW; Thorne, PS, 2014)	0.4
" AChE and CAT activities were significantly inhibited by BDE-209 and the mixtures at higher dosages (≥1mg/kg), and exhibited obvious dose-response relationships."	( Effects of BDE-209 and its mixtures with BDE-47 and BDE-99 on multiple biomarkers in Carassius auratus. Lu, G; Qi, P; Xie, Z, 2014)	0.4
"Juvenile red-eared sliders (Trachemys scripta elegans) and snapping turtles (Chelydra serpentina) were fed food dosed with brominated diphenyl ether-47 (BDE-47) or BDE-99 for 6 mo beginning approximately 9 mo posthatch."	( Dietary exposure of BDE-47 and BDE-99 and effects on behavior, bioenergetics, and thyroid function in juvenile red-eared sliders (Trachemys scripta elegans) and common snapping turtles (Chelydra serpentina). Eisenreich, KM; Rowe, CL, 2014)	0.4
" Using oral dosing procedures and treatments adjusted by weight, we treated newly hatched chicks daily for the first 20-days-post-hatch (dph) with varying treatments of BDE-47 (0, 5, 50, and 500 ng/g bw/day)."	( Effects of the bioaccumulative polybrominated diphenyl ether flame retardant congener BDE-47 on growth, development, and reproductive success in zebra finches. Currier, HA; Elliott, JE; Letcher, RJ; Williams, TD, 2015)	0.42
" SOD maintained a dynamic balance to upregulate SOD expression to eliminate superoxide radicals in all dosage treatments, but downregulation of CAT decreased the ability to eliminate hydrogen peroxide."	( Growth inhibition and altered gene transcript levels in earthworms (Eisenia fetida) exposed to 2,2',4,4'-tetrabromodiphenyl ether. Lu, YL; Ritchie, RJ; Shi, YJ; Xu, XB; Zheng, XQ, 2015)	0.64
" The improved dosage of A-Fe/Ni was found to be beneficial, and higher values of initial concentration, pH, and methanol/water ratio hindered the degradation rate, which, for example, decreased significantly in mixtures with a methanol proportion higher than 50%."	( Debromination of polybrominated diphenyl ethers by attapulgite-supported Fe/Ni bimetallic nanoparticles: Influencing factors, kinetics and mechanism. Bian, Y; Cheng, Y; Gu, C; Jiang, X; Liu, Z; Song, Y; Wang, F; Yang, X; Ye, M, 2015)	0.42
" The degradation of BDE-47 over the composite oxide prepared at a urea dosage of 3 mmol generated BDE-17 as the major isomer product, followed by BDE-28/33, -30, and -32, among the tribromodiphenyl ethers (tri-BDEs)."	( Thermal degradation of 2,2',4,4'-tetrabromodiphenyl ether (BDE-47) over synthesized Fe-Al composite oxide. Huang, X; Li, B; Li, Q; Miao, X; Su, G; Yang, F; Zhao, Y; Zheng, M, 2016)	0.74
" BDE-99 also exhibited a significant dose-response effect on a developed zebrafish pregnane X receptor luciferase reporter gene system."	( BDE-99, but not BDE-47, is a transient aryl hydrocarbon receptor agonist in zebrafish liver cells. Chan, KM; Yang, J; Zhu, J, 2016)	0.43
"In this research work, we addressed the effects of a diet fortified with BDE-47 (0, 10, 100, 1000ng/g) dosed to 4-7 day-old post-hatch medaka fish for 40 days, followed by an 80-day depuration period."	( Effects of dietary 2,2', 4,4'-tetrabromodiphenyl ether (BDE-47) exposure in growing medaka fish (Oryzias latipes). Beltrán, EM; Carbonell, G; Fernàndez Torija, C; García-Mauriño, JE; González-Doncel, M; Sastre, S, 2016)	0.43
"A diet fortified with 2,2', 4,4'-tetrabromodiphenyl ether (BDE-47: 0, 10, 100, and 1000 ng/g) was dosed to 4-7-day-old post-hatch medaka fish for 40 days to evaluate the effects on the swimming activity of fish using a miniaturized swimming flume."	( Effects of dietary 2,2', 4,4'-tetrabromodiphenyl ether (BDE-47) exposure on medaka (Oryzias latipes) swimming behavior. Beltrán, EM; Carbonell, G; Fernández Torija, C; González-Doncel, M; Rodríguez Martín, JA; Sastre, S, 2018)	0.48
" Results showed that the tumor sizes were positively associated with the dosage of BDE-47."	( Metabolomics and lipidomics study unveils the impact of polybrominated diphenyl ether-47 on breast cancer mice. Cai, Z; Jiang, Y; Li, X; Liu, Y; Song, Y; Wei, J; Xiang, L, 2020)	0.56

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Class	Description
organobromine compound	A compound containing at least one carbon-bromine bond.
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASE	Homo sapiens (human)	Potency	19.9526	0.0040	23.8416	100.0000	AID485290
Chain A, JmjC domain-containing histone demethylation protein 3A	Homo sapiens (human)	Potency	56.2341	0.6310	35.7641	100.0000	AID504339
Luciferase	Photinus pyralis (common eastern firefly)	Potency	31.2434	0.0072	15.7588	89.3584	AID1224835; AID588342
pregnane X receptor	Rattus norvegicus (Norway rat)	Potency	50.1187	0.0251	27.9203	501.1870	AID651751
hypoxia-inducible factor 1 alpha subunit	Homo sapiens (human)	Potency	61.7429	3.1890	29.8841	59.4836	AID1224846
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	17.9739	0.0060	38.0041	19,952.5996	AID1159521; AID1159523
ATAD5 protein, partial	Homo sapiens (human)	Potency	20.5878	0.0041	10.8903	31.5287	AID504467
GLI family zinc finger 3	Homo sapiens (human)	Potency	4.8659	0.0007	14.5928	83.7951	AID1259369; AID1259392
AR protein	Homo sapiens (human)	Potency	27.3087	0.0002	21.2231	8,912.5098	AID1259243; AID1259247; AID743063
thioredoxin glutathione reductase	Schistosoma mansoni	Potency	100.0000	0.1000	22.9075	100.0000	AID485364
apical membrane antigen 1, AMA1	Plasmodium falciparum 3D7	Potency	25.1189	0.7079	12.1943	39.8107	AID720542
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	17.7828	0.0112	12.4002	100.0000	AID1030
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	33.5371	0.0010	22.6508	76.6163	AID1224838; AID1224839; AID1224893
progesterone receptor	Homo sapiens (human)	Potency	2.7334	0.0004	17.9460	75.1148	AID1346795
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	10.4199	0.0030	41.6115	22,387.1992	AID1159552; AID1159553; AID1159555
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	26.5355	0.0015	30.6073	15,848.9004	AID1224841; AID1224842; AID1259401
pregnane X nuclear receptor	Homo sapiens (human)	Potency	35.2399	0.0054	28.0263	1,258.9301	AID1346982; AID720659
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	33.2121	0.0002	29.3054	16,493.5996	AID743069; AID743075; AID743078; AID743079; AID743080; AID743091
bromodomain adjacent to zinc finger domain 2B	Homo sapiens (human)	Potency	7.9433	0.7079	36.9043	89.1251	AID504333
P53	Homo sapiens (human)	Potency	50.1187	0.0731	9.6858	31.6228	AID504706
peroxisome proliferator-activated receptor delta	Homo sapiens (human)	Potency	55.0284	0.0010	24.5048	61.6448	AID743212
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	35.4813	0.0010	19.4141	70.9645	AID588536
vitamin D (1,25- dihydroxyvitamin D3) receptor	Homo sapiens (human)	Potency	0.0025	0.0237	23.2282	63.5986	AID743223
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	6.1193	0.0017	23.8393	78.1014	AID743083
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	58.9745	0.0016	28.0151	77.1139	AID1224895; AID1259385; AID1259395
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_a	Homo sapiens (human)	Potency	6.1743	19.7391	45.9784	64.9432	AID1159509
chromobox protein homolog 1	Homo sapiens (human)	Potency	79.4328	0.0060	26.1688	89.1251	AID540317
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	29.0929	0.0041	9.9848	25.9290	AID504444
potassium voltage-gated channel subfamily H member 2 isoform d	Homo sapiens (human)	Potency	17.7828	0.0178	9.6374	44.6684	AID588834
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	63.2146	0.0003	23.4451	159.6830	AID743065; AID743067
histone deacetylase 9 isoform 3	Homo sapiens (human)	Potency	54.5381	0.0376	17.0823	61.1927	AID1259364
importin subunit beta-1 isoform 1	Homo sapiens (human)	Potency	25.9290	5.8048	36.1306	65.1308	AID540253
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	39.8107	0.0398	16.7842	39.8107	AID995
snurportin-1	Homo sapiens (human)	Potency	25.9290	5.8048	36.1306	65.1308	AID540253
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	74.9780	0.0006	27.2152	1,122.0200	AID651741
GTP-binding nuclear protein Ran isoform 1	Homo sapiens (human)	Potency	25.9290	5.8048	16.9962	25.9290	AID540253
lethal(3)malignant brain tumor-like protein 1 isoform I	Homo sapiens (human)	Potency	25.1189	0.0752	15.2253	39.8107	AID485360
geminin	Homo sapiens (human)	Potency	23.1093	0.0046	11.3741	33.4983	AID624296
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	39.8107	0.2512	15.8432	39.8107	AID504327
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	1.5849	0.0200	10.7869	31.6228	AID912
Cellular tumor antigen p53	Homo sapiens (human)	Potency	61.1927	0.0023	19.5956	74.0614	AID651631
Nuclear receptor ROR-gamma	Homo sapiens (human)	Potency	11.8832	0.0266	22.4482	66.8242	AID651802
Rap guanine nucleotide exchange factor 4	Homo sapiens (human)	Potency	12.5893	3.9811	46.7448	112.2020	AID720708
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle G2/M phase transition	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
ER overload response	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
in utero embryonic development	Cellular tumor antigen p53	Homo sapiens (human)
somitogenesis	Cellular tumor antigen p53	Homo sapiens (human)
release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic progenitor cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
T cell proliferation involved in immune response	Cellular tumor antigen p53	Homo sapiens (human)
B cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
T cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
response to ischemia	Cellular tumor antigen p53	Homo sapiens (human)
nucleotide-excision repair	Cellular tumor antigen p53	Homo sapiens (human)
double-strand break repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
protein import into nucleus	Cellular tumor antigen p53	Homo sapiens (human)
autophagy	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
Ras protein signal transduction	Cellular tumor antigen p53	Homo sapiens (human)
gastrulation	Cellular tumor antigen p53	Homo sapiens (human)
neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
protein localization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA replication	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
determination of adult lifespan	Cellular tumor antigen p53	Homo sapiens (human)
mRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
rRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
response to salt stress	Cellular tumor antigen p53	Homo sapiens (human)
response to inorganic substance	Cellular tumor antigen p53	Homo sapiens (human)
response to X-ray	Cellular tumor antigen p53	Homo sapiens (human)
response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of gene expression	Cellular tumor antigen p53	Homo sapiens (human)
cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
viral process	Cellular tumor antigen p53	Homo sapiens (human)
glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
cerebellum development	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell growth	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
mitotic G1 DNA damage checkpoint signaling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of telomere maintenance via telomerase	Cellular tumor antigen p53	Homo sapiens (human)
T cell differentiation in thymus	Cellular tumor antigen p53	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
regulation of tissue remodeling	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV	Cellular tumor antigen p53	Homo sapiens (human)
multicellular organism growth	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of mitochondrial membrane permeability	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
entrainment of circadian clock by photoperiod	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial DNA repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
transcription initiation-coupled chromatin remodeling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of proteolysis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
response to antibiotic	Cellular tumor antigen p53	Homo sapiens (human)
fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
circadian behavior	Cellular tumor antigen p53	Homo sapiens (human)
bone marrow development	Cellular tumor antigen p53	Homo sapiens (human)
embryonic organ development	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Cellular tumor antigen p53	Homo sapiens (human)
protein stabilization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of helicase activity	Cellular tumor antigen p53	Homo sapiens (human)
protein tetramerization	Cellular tumor antigen p53	Homo sapiens (human)
chromosome organization	Cellular tumor antigen p53	Homo sapiens (human)
neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic stem cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
type II interferon-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
cardiac septum morphogenesis	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of programmed necrotic cell death	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress	Cellular tumor antigen p53	Homo sapiens (human)
thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
necroptotic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to xenobiotic stimulus	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to ionizing radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV-C	Cellular tumor antigen p53	Homo sapiens (human)
stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to actinomycin D	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
replicative senescence	Cellular tumor antigen p53	Homo sapiens (human)
oxidative stress-induced premature senescence	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
oligodendrocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of execution phase of apoptosis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of G1 to G0 transition	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of miRNA processing	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of pentose-phosphate shunt	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
regulation of fibroblast apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Nuclear receptor ROR-gamma	Homo sapiens (human)
xenobiotic metabolic process	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of glucose metabolic process	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of steroid metabolic process	Nuclear receptor ROR-gamma	Homo sapiens (human)
intracellular receptor signaling pathway	Nuclear receptor ROR-gamma	Homo sapiens (human)
circadian regulation of gene expression	Nuclear receptor ROR-gamma	Homo sapiens (human)
cellular response to sterol	Nuclear receptor ROR-gamma	Homo sapiens (human)
positive regulation of circadian rhythm	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of fat cell differentiation	Nuclear receptor ROR-gamma	Homo sapiens (human)
positive regulation of DNA-templated transcription	Nuclear receptor ROR-gamma	Homo sapiens (human)
adipose tissue development	Nuclear receptor ROR-gamma	Homo sapiens (human)
T-helper 17 cell differentiation	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Nuclear receptor ROR-gamma	Homo sapiens (human)
adaptive immune response	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
calcium-ion regulated exocytosis	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of exocytosis	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
positive regulation of insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of synaptic vesicle cycle	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
Ras protein signal transduction	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
transcription cis-regulatory region binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
core promoter sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
TFIID-class transcription factor complex binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
protease binding	Cellular tumor antigen p53	Homo sapiens (human)
p53 binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity	Cellular tumor antigen p53	Homo sapiens (human)
mRNA 3'-UTR binding	Cellular tumor antigen p53	Homo sapiens (human)
copper ion binding	Cellular tumor antigen p53	Homo sapiens (human)
protein binding	Cellular tumor antigen p53	Homo sapiens (human)
zinc ion binding	Cellular tumor antigen p53	Homo sapiens (human)
enzyme binding	Cellular tumor antigen p53	Homo sapiens (human)
receptor tyrosine kinase binding	Cellular tumor antigen p53	Homo sapiens (human)
ubiquitin protein ligase binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase regulator activity	Cellular tumor antigen p53	Homo sapiens (human)
ATP-dependent DNA/DNA annealing activity	Cellular tumor antigen p53	Homo sapiens (human)
identical protein binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase binding	Cellular tumor antigen p53	Homo sapiens (human)
protein heterodimerization activity	Cellular tumor antigen p53	Homo sapiens (human)
protein-folding chaperone binding	Cellular tumor antigen p53	Homo sapiens (human)
protein phosphatase 2A binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	Cellular tumor antigen p53	Homo sapiens (human)
14-3-3 protein binding	Cellular tumor antigen p53	Homo sapiens (human)
MDM2/MDM4 family protein binding	Cellular tumor antigen p53	Homo sapiens (human)
disordered domain specific binding	Cellular tumor antigen p53	Homo sapiens (human)
general transcription initiation factor binding	Cellular tumor antigen p53	Homo sapiens (human)
molecular function activator activity	Cellular tumor antigen p53	Homo sapiens (human)
promoter-specific chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Nuclear receptor ROR-gamma	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Nuclear receptor ROR-gamma	Homo sapiens (human)
DNA-binding transcription factor activity	Nuclear receptor ROR-gamma	Homo sapiens (human)
protein binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
oxysterol binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
zinc ion binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
ligand-activated transcription factor activity	Nuclear receptor ROR-gamma	Homo sapiens (human)
sequence-specific double-stranded DNA binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
nuclear receptor activity	Nuclear receptor ROR-gamma	Homo sapiens (human)
guanyl-nucleotide exchange factor activity	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
protein binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
cAMP binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
protein-macromolecule adaptor activity	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
small GTPase binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nuclear body	Cellular tumor antigen p53	Homo sapiens (human)
nucleus	Cellular tumor antigen p53	Homo sapiens (human)
nucleoplasm	Cellular tumor antigen p53	Homo sapiens (human)
replication fork	Cellular tumor antigen p53	Homo sapiens (human)
nucleolus	Cellular tumor antigen p53	Homo sapiens (human)
cytoplasm	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrion	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial matrix	Cellular tumor antigen p53	Homo sapiens (human)
endoplasmic reticulum	Cellular tumor antigen p53	Homo sapiens (human)
centrosome	Cellular tumor antigen p53	Homo sapiens (human)
cytosol	Cellular tumor antigen p53	Homo sapiens (human)
nuclear matrix	Cellular tumor antigen p53	Homo sapiens (human)
PML body	Cellular tumor antigen p53	Homo sapiens (human)
transcription repressor complex	Cellular tumor antigen p53	Homo sapiens (human)
site of double-strand break	Cellular tumor antigen p53	Homo sapiens (human)
germ cell nucleus	Cellular tumor antigen p53	Homo sapiens (human)
chromatin	Cellular tumor antigen p53	Homo sapiens (human)
transcription regulator complex	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex	Cellular tumor antigen p53	Homo sapiens (human)
nucleus	Nuclear receptor ROR-gamma	Homo sapiens (human)
nucleoplasm	Nuclear receptor ROR-gamma	Homo sapiens (human)
nuclear body	Nuclear receptor ROR-gamma	Homo sapiens (human)
chromatin	Nuclear receptor ROR-gamma	Homo sapiens (human)
nucleus	Nuclear receptor ROR-gamma	Homo sapiens (human)
cytosol	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
hippocampal mossy fiber to CA3 synapse	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID289348	Biomagnification factors in human	2007	Science (New York, N.Y.), Jul-13, Volume: 317, Issue:5835	Food web-specific biomagnification of persistent organic pollutants.
AID289345	Octanol-water partition coefficient, log KOW of the compound	2007	Science (New York, N.Y.), Jul-13, Volume: 317, Issue:5835	Food web-specific biomagnification of persistent organic pollutants.
AID289347	Biomagnification factors in Diporeia	2007	Science (New York, N.Y.), Jul-13, Volume: 317, Issue:5835	Food web-specific biomagnification of persistent organic pollutants.
AID289346	Octanol-air partition coefficient, log KOA of the compound	2007	Science (New York, N.Y.), Jul-13, Volume: 317, Issue:5835	Food web-specific biomagnification of persistent organic pollutants.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	3 (0.43)	18.2507
2000's	84 (11.93)	29.6817
2010's	461 (65.48)	24.3611
2020's	156 (22.16)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	4 (0.56%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	706 (99.44%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2.76	3	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
catechol [no description available]	2.07	1	catechols	allelochemical; genotoxin; plant metabolite
methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).	2.25	1	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	2.77	3	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
guaiacol Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.	1.99	1	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
dibenzofuran Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.	2.17	1	dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene	xenobiotic
creatine [no description available]	2.11	1	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	2.11	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
hexachlorocyclohexane Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer.. beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane.	3.32	6	chlorocyclohexane
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	2.15	1	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	2.58	2	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
melatonin [no description available]	8.16	3	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28.	2.11	1	metal allergen; nickel group element atom	epitope; micronutrient
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	2.08	1	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
hydroxide ion [no description available]	2.54	2	oxygen hydride	mouse metabolite
pentachlorophenol PENTA: structure given in first source	7.53	2	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
phenanthrene phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'	2.08	1	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
phenol [no description available]	2.76	3	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.	2.85	3	benzenedicarboxylic acid	human xenobiotic metabolite
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	2.04	1	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	2.13	1	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2,4,6-tribromophenol [no description available]	2.58	2	bromophenol	environmental contaminant; fungicide; marine metabolite
4-nonylphenol 4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group.	2.31	1	phenols	environmental contaminant
antipyrine Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2.	2.05	1	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.	3.69	9	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
butylbenzyl phthalate spatozoate: structure in first source	2.51	2	benzyl ester
chlorpyrifos Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.	2.63	2	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
deferoxamine Deferoxamine: Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.. desferrioxamine B : An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N(1)-(5-aminopentyl)-N(1)-hydroxy-N(4)-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator.	2.1	1	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
dibutyl phthalate Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.. dibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.	2.85	3	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent
dichlorodiphenyl dichloroethylene Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT.	4.06	13	chlorophenylethylene; monochlorobenzenes	human xenobiotic metabolite; persistent organic pollutant
ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source	2.97	4	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	2.72	2	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
endosulfan Endosulfan: A polychlorinated compound used for controlling a variety of insects. It is practically water-insoluble, but readily adheres to clay particles and persists in soil and water for several years. Its mode of action involves repetitive nerve-discharges positively correlated to increase in temperature. This compound is extremely toxic to most fish. (From Comp Biochem Physiol (C) 1993 Jul;105(3):347-61). endosulfan : A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10.	2.54	2	cyclic sulfite ester; cyclodiene organochlorine insecticide	acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant
ether Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups.	5.29	38	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
gentamicin Gentamicins: A complex of closely related aminoglycosides obtained from MICROMONOSPORA purpurea and related species. They are broad-spectrum antibiotics, but may cause ear and kidney damage. They act to inhibit PROTEIN BIOSYNTHESIS.	2.17	1
heptachlor Heptachlor: A man-made compound previously used to control termites and other insects. Even though production of heptachlor was phased out of use in the United States during the late 1980's it remains in soil and hazardous waste sites. It is clearly toxic to animals and humans but, the International Agency for Research on Cancer (IARC) has determined that heptachlor is not classifiable as to its carcinogenicity to humans. (From ATSDR Public Heath Statement, April 1989). heptachlor : A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations.	2.6	1	cyclodiene organochlorine insecticide	agrochemical; antibacterial agent; antifungal agent; GABA-gated chloride channel antagonist; persistent organic pollutant
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	2.04	1	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
4-phenylbutyric acid 4-phenylbutyric acid: RN refers to the parent cpd. 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.	2.31	1	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
triclosan [no description available]	8.02	4	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
trifluralin Trifluralin: A microtubule-disrupting pre-emergence herbicide.. trifluralin : A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide.	2.03	1	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.	4.43	20	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
aldosterone [no description available]	2.6	1	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
triiodothyronine Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.	9.04	13	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	2.59	2	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	2.41	1	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	2.11	1	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.	2.6	1	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
ethinyl estradiol Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.	2.44	2	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
chlordan Chlordan: A highly poisonous organochlorine insecticide. The EPA has cancelled registrations of pesticides containing this compound with the exception of its use through subsurface ground insertion for termite control and the dipping of roots or tops of non-food plants. (From Merck Index, 11th ed)	2.13	1	cyclodiene organochlorine insecticide	GABA-gated chloride channel antagonist; persistent organic pollutant
2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.	2.21	1	tetrachlorophenol	xenobiotic metabolite
galactose galactopyranose : The pyranose form of galactose.	2.6	1	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
egtazic acid Egtazic Acid: A chelating agent relatively more specific for calcium and less toxic than EDETIC ACID.. ethylene glycol bis(2-aminoethyl)tetraacetic acid : A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively.	2.13	1	diether; tertiary amino compound; tetracarboxylic acid	chelator
acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.	2.08	1	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.	4.42	19	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
tris(2-butoxyethyl) phosphate tris(2-butoxyethyl) phosphate: inhibitor of drug-protein binding; present in stoppers of blood sample 'vacutainers'. tris(2-butoxyethyl) phosphate : A trialkyl phosphate in which the alkyl group specified is 2-butoxyethyl.	2.6	1	trialkyl phosphate	environmental contaminant; flame retardant
tetrabromobisphenol a tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.	4.09	13	brominated flame retardant; bromobisphenol
tetrachlorodian tetrachlorodian: used in the manufacture of synthetic resins	2.21	1	bisphenol
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	9.18	15	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
4,4'-dichlorodiphenyl sulfone [no description available]	2	1
bis(4-hydroxyphenyl)sulfone bis(4-hydroxyphenyl)sulfone: structure and RN in first source. 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups.	2.58	2	bisphenol; sulfone	endocrine disruptor; metabolite
diisobutyl phthalate diisobutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol.	2.1	1	diester; phthalate ester	plasticiser; PPAR modulator; teratogenic agent
diquat Diquat: A contact herbicide used also to produce desiccation and defoliation. (From Merck Index, 11th ed). diquat : The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide.	2.03	1	organic cation	defoliant; herbicide
hexachlorobutadiene hexachlorobutadiene: a potent nephrotoxicant in rats; structure	2.03	1	organochlorine compound
hexabromobenzene [no description available]	2.78	3
2,3,4,5,6-pentabromotoluene [no description available]	2.04	1
1,2,4,5-tetrachlorobenzene 1,2,4,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5.	2.03	1	tetrachlorobenzene
styrene Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.	2.03	1	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
triclocarban triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.	7.13	1	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic
4-bromophenyl phenyl ether 4-bromodiphenyl ether: induces apoptosis. 4-bromophenyl phenyl ether : An aromatic ether that is diphenyl ether substituted at position 4 by a bromo group.	2.41	1	aromatic ether; organobromine compound
phenyl ether diphenyl ether : An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.	3.01	4	aromatic ether	plant metabolite
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	2.25	1	alkane
1,3,5-trichlorobenzene 1,3,5-trichlorobenzene: structure in first source. 1,3,5-trichlorobenzene : A trichlorobenzene carrying chloro substituents at positions 1, 3 and 5.	2.03	1	trichlorobenzene
n-hexane hexane : An unbranched alkane containing six carbon atoms.	2.25	1	alkane; volatile organic compound	neurotoxin; non-polar solvent
nonane iotrochotin: toxin from the Caribbean sponge Iotrochota birotulata, which selectively permeabilizes synaptosomes. nonane : A straight chain alkane composed of 9 carbon atoms.	2.08	1	alkane	plant metabolite; volatile oil component
dicofol Dicofol: An organochlorine insecticide.. dicofol : A tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group.	2.03	1	monochlorobenzenes; organochlorine acaricide; tertiary alcohol
triphenyl phosphate triphenyl phosphate: structure. triphenyl phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol.	3.16	3	aryl phosphate	flame retardant; plasticiser
tris(chloroethyl)phosphate tris(chloroethyl)phosphate: has gonadotoxic effects. tris(2-chloroethyl) phosphate : A trialkyl phosphate that is the tris(2-chloroethyl) ester of phosphoric acid.	2.41	1	organochlorine compound; trialkyl phosphate
tetradifon tetradifon: acaricide; ovicide on deciduous fruits, citrus, cotton and other crops; structure. tetradifon : A sulfone that is diphenylsulfone in which one of the phenyl groups is substituted by chlorine at position 4, while the other is substituted by a chlorine at positions 2, 4, and 5.	2.03	1	monochlorobenzenes; organochlorine acaricide; sulfone; trichlorobenzene
diethylhexyl phthalate Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.. bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.	2.83	3	diester; phthalate ester	androstane receptor agonist; apoptosis inhibitor; plasticiser
hexachlorobenzene Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants.	2.97	4	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
diallyl phthalate [no description available]	2.72	3
ethyl acetate ethyl acetate : The acetate ester formed between acetic acid and ethanol.	2.25	1	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
dibenzo(1,4)dioxin dibenzo(1,4)dioxin: structure	2.58	2	dibenzodioxine; heteranthrene; mancude organic heterotricyclic parent; oxacycle; polycyclic heteroarene
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	2.31	1	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	2.46	2	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
perfluorooctanoic acid perfluorooctanoic acid: RN given refers to parent cpd. perfluorooctanoic acid : A fluoroalkanoic acid that is perfluorinated octanoic acid.	2.8	3	fluoroalkanoic acid	carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic
perfluorodecanoic acid perfluorodecanoic acid : A fluoroalkanoic acid that is perfluorinated decanoic acid.	2.13	1	fluoroalkanoic acid	environmental contaminant; xenobiotic
perfluorobutyric acid perfluorobutyric acid: ion pairing reagent; RN given refers to parent cpd. perfluorobutyric acid : A monocarboxylic acid that is perfluorinated butyric acid.	2.13	1	fluoroalkanoic acid	chromatographic reagent; environmental contaminant; xenobiotic
lithocholic acid Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.. lithocholate : A bile acid anion that is the conjugate base of lithocholic acid.	3.21	1	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	3.53	7	dialdehyde	biomarker
neutral red Neutral Red: A vital dye used as an indicator and biological stain. Various adverse effects have been observed in biological systems.. neutral red : A hydrochloride obtained by combining the free base of neutral red with one equivalent of hydrochloric acid. Neutral red acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0.	2.15	1	hydrochloride	acid-base indicator; dye; two-colour indicator
dansyl chloride dansyl chloride: RN given refers to unlabeled cpd	2.15	1	aminonaphthalene; sulfonic acid derivative
pentachlorobenzene pentachlorobenzene: structure. pentachlorobenzene : A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention.	2.03	1	pentachlorobenzenes	persistent organic pollutant
2,4-dibromophenol 2,4-dibromophenol : A bromophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by bromines.	2.21	1	brominated flame retardant; bromophenol; dibromobenzene	marine metabolite
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	3.82	10	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
4,4'-bisphenol f 4,4'-bisphenol F: RN given refers to parent cpd. bisphenol F : A bisphenol that is methane in which two of the hydrogens have been replaced by 4-hydroxyphenyl groups.	2.31	1	bisphenol; diarylmethane	environmental food contaminant; xenoestrogen
phenylphosphate phenylphosphate: structure given in first source. phenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.	2.31	1	aryl phosphate	mouse metabolite
decabromobiphenyl ether decabromobiphenyl ether: a flame retardant. decabromodiphenyl ether : A polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines.	7.04	90	polybromodiphenyl ether	neurotoxin
cadmium sulfide [no description available]	2.21	1	cadmium molecular entity
d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.	2.51	2	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
mirex Mirex: An organochlorine insecticide that is carcinogenic.	2.03	1	chlorocarbon; organochlorine insecticide	persistent organic pollutant
chloroneb chloroneb: structure. chloroneb : A dimethoxybenzene that is p-dimethoxybenzene which is substituted by chlorines at positions 2 and 5. A fungicide formerly used as a seed treatment, it is not approved for use in the European Union.	2.6	1	aromatic fungicide; dichlorobenzene; dimethoxybenzene	antifungal agrochemical
2,4,4'-trichlorobiphenyl [no description available]	2.47	2
mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero.	2.1	1	elemental mercury; zinc group element atom	neurotoxin
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.	2.8	3	metal allergen; nickel group element atom; platinum group metal atom
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	2.87	3	copper group element atom; elemental silver	Escherichia coli metabolite
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	2.82	3	titanium group element atom
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.	3.47	6	cadmium molecular entity; zinc group element atom
chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24.	2.75	3	chromium group element atom; metal allergen	micronutrient
ferric chloride ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents	2.07	1	iron coordination entity	astringent; Lewis acid
bromine Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested.	3.63	8	diatomic bromine
lead chloride lead chloride: RN in 9th CI Form Index for cotunnite: 14639-87-3; RN given refers to cpd with MF of Pb-Cl2. lead(II) chloride : An inorganic chloride consisting of two chlorine atoms covalently bound to a central lead atom.	2.31	1	inorganic chloride; lead coordination entity
titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.	2.58	2	titanium oxides	food colouring
dechlorane plus dechlorane plus: a flame retardant; structure in first source	2.58	2
tri-(2-chloroisopropyl)phosphate [no description available]	2.15	1	trialkyl phosphate
tris(1,3-dichloro-2-propyl)phosphate [no description available]	2.55	2	trialkyl phosphate
2,4',5-trichlorobiphenyl [no description available]	2.1	1
chromium chromium hexavalent ion: a human respiratory carcinogen	2.75	3	chromium cation; monoatomic hexacation
iodine [no description available]	2.13	1	halide anion; monoatomic iodine	human metabolite
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	2.25	1	benzenes; phenyl acetates
pyrene pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.	2.31	1	ortho- and peri-fused polycyclic arene	fluorescent probe; persistent organic pollutant
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2.21	1	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
dechlorane 602 dechlorane 602: structure in first source	2.52	2
pcb 118 [no description available]	2.03	1	dichlorobenzene; pentachlorobiphenyl; trichlorobenzene
pbde 99 2,4-dibromophenyl 2,4,5-tribromophenyl ether : A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.	2.03	1	polybromodiphenyl ether
3,4,3',4'-tetrachlorobiphenyl 3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines.	2.47	2	dichlorobenzene; tetrachlorobiphenyl
2,4,5,2',4',5'-hexachlorobiphenyl [no description available]	4.48	21	hexachlorobiphenyl
2,2',3',4,4',5-hexachlorobiphenyl [no description available]	2.83	3	polychlorobiphenyl
pcb 180 PCB 180: C12-H3-Cl7	2.46	2	polychlorobiphenyl
2,5,2',5'-tetrachlorobiphenyl 2,2',5,5'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at the 2 and 5 position of each benzene ring are replaced by chlorines.	2	1	dichlorobenzene; tetrachlorobiphenyl
1,2-bis(2,4,6-tribromophenoxy)ethane 1,2-bis(2,4,6-tribromophenoxy)ethane: structure given in first source	3.03	4
vinclozolin vinclozolin : A racemate comprising equimolar amounts of (R)- and (S)-vinclozolin. A fungicide used mainly on oilseed rape, vines, fruit and vegetables to control Botrytis, Sclerotinia and Monilia spp.. 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione : A member of the class of oxazolidinones that is 5-ethenyl-5-methyl-2,4-oxazolidinedione in which the imide hydrogen is replaced by a 3,5-dichlorophenyl group.	2.31	1	dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone
chlorodiphenyl (54% chlorine) Chlorodiphenyl (54% Chlorine): A mixture of polychlorinated biphenyls that induces hepatic microsomal UDP-glucuronyl transferase activity towards thyroxine.. Aroclor 1254 : A mixture of polychlorobiphenyls of unspecified composition, containing 54% chlorine (X = Cl or H).	2.46	2
2,4,5,2',4',5'-hexabromobiphenyl 2,4,5,2',4',5'-hexabromobiphenyl: RN given refers to parent cpd. 2,2',4,4',5,5'-hexabromobiphenyl : A polybromobiphenyl that is biphenyl in which the hydrogens at positions 2, 2', 4, 4', 5, and 5' have been replace by bromines.	2.6	1	brominated flame retardant; polybromobiphenyl
bde 206 2,2',3,3',4,4',5,5',6-nonabromodiphenyl ether: structure in first source	3.01	4
colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.	2.07	1	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
simvastatin Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.	2.05	1	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
musk xylene musk xylene : A C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6 as well as a tert-butyl group at position 5.	2.03	1	C-nitro compound	carcinogenic agent; explosive; fragrance
3,4,5,3',4'-pentachlorobiphenyl 3,3',4,4',5-pentachlorobiphenyl : A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions.	2.97	4	pentachlorobiphenyl; trichlorobenzene
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	2.46	2	organic bromide salt	colorimetric reagent; dye
trenbolone acetate Trenbolone Acetate: An anabolic steroid used mainly as an anabolic agent in veterinary practice.	2.44	2	steroid ester
perfluoro-n-nonanoic acid perfluorononanoic acid : A fluoroalkanoic acid that is nonanoic acid in which all of the hydrogens in the alkyl chain are replaced by fluorines.	2.13	1	fluoroalkanoic acid	persistent organic pollutant; surfactant; xenobiotic
delphinidin Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.. delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart.	2.01	1	anthocyanidin chloride
honokiol [no description available]	2.6	1	biphenyls
perfluorooctane sulfonic acid perfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.	3.19	5	perfluoroalkanesulfonic acid	antilipemic drug; persistent organic pollutant
pentafluorobenzoyl chloride pentafluorobenzoyl chloride: RN given refers to parent cpd. pentafluorobenzoyl chloride : The acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography.	2.1	1	acyl chloride; perfluorinated compound	chromatographic reagent
tris(4-chlorophenyl)methanol [no description available]	1.99	1
4-phenylbutylamine 4-phenylbutylamine: used as a drug partition into lipid bilayers in a cubic liquid-crystalline phase. 4-phenylbutylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group.	2.13	1	benzenes; phenylalkylamine; primary amino compound
irgarol 1051 irgarol 1051: a booster biocide; structure given in first source. irgarol 1051 : A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6.	2.05	1	aryl sulfide; cyclopropanes; diamino-1,3,5-triazine	antifouling biocide; environmental contaminant; xenobiotic
titanium nitride (tin) titanium nitride: RN given refers to unspecified MF	2.07	1
fulvestrant Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.. fulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer.	2.03	1	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
3,3'-diiodothyronine 3,3'-diiodothyronine: RN given refers to unlabeled cpd without isomeric designation	2.52	2	3,3'-diiodothyronine; amino acid zwitterion	human metabolite
caprylates Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.	2.8	3	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
tris(2-carboxyethyl)phosphine tris(2-carboxyethyl)phosphine: water-soluble reagent which irreversibly reduces disulfides to thiols at room temperature & is active below neutral pH; used for quantitation of iodine and iodate. TCEP : A tertiary phosphine in which phosphane is substituted with three 2-carboxyethyl groups. It is a commonly used reducing agent.	2.41	1	phosphine derivative; tricarboxylic acid	reducing agent
tenax tenax: porous polymer based on 2,6-diphenyl-p-phenylene oxide; used for trapping volatile organic compounds	2.06	1
antibiotic g 418 antibiotic G 418: from Micromonospora rhodorangea	2.17	1
cyclohexadienone cyclohexadienone: structure in first source	2.07	1
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	2.1	1	oxygen hydride; oxygen radical; reactive oxygen species
fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols	2.06	1
organophosphonates hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.	2.21	1	divalent inorganic anion; phosphite ion
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.17	1
methylmercuric chloride methylmercuric chloride: RN given refers to unlabeled cpd	2.31	1	chlorine molecular entity; mercury coordination entity; one-carbon compound
tetrachloropalladium tetrachloropalladium: RN given refers to ion(2-); see also record for palladium chloride RN: 7647-10-1	2.25	1
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	2.6	1	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
diethylstilbestrol Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.	2.08	1	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
sodium acetate, anhydrous Sodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.	2.07	1	organic sodium salt	NMR chemical shift reference compound
isoliquiritigenin [no description available]	7.21	1	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
n-benzoylalanine N-benzoylalanine: RN given refers to parent cpd (L-Ala)-isomer. N-benzoylalanine : An N-acylamino acid that is the N-benzoyl derivative of alanine.. N-benzoyl-L-alanine : An N-acyl-L-alanine resulting from the formal condensation of L-alanine with the carboxy group of benzoic acid.	2.41	1	N-acyl-L-alanine; N-benzoylalanine	metabolite
dieldrin Dieldrin: An organochlorine insecticide whose use has been cancelled or suspended in the United States. It has been used to control locusts, tropical disease vectors, in termite control by direct soil injection, and non-food seed and plant treatment. (From HSDB). dieldrin : An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin.	2.42	2	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	2.31	1	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
D-fructopyranose [no description available]	2.6	1	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
nadp [no description available]	2.04	1
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester [no description available]	2.13	1
3,5-dibromo-2-(2,4-dibromophenoxy)phenol 3,5-dibromo-2-(2,4-dibromophenoxy)phenol: isolated from the marine sponge Callyspongidae; inhibits contraction of smooth muscle in ileum; structure in first source	2.07	1
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	2.11	1	prostaglandins E	human metabolite; mouse metabolite; oxytocic
rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.	3.05	4	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.	2.87	3	carbon group element atom; elemental lead; metal atom	neurotoxin
aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.	2.13	1	boron group element atom; elemental aluminium; metal atom
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)	2.5	2	metalloid atom; pnictogen	micronutrient
phosphorus Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.	2.08	1	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
troxerutin troxerutin: used in treatment of venous disorders; structure; venoruton & oxerutin is a mixture of hydroxyethyl rutinosides	3.05	4
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	2.53	2	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
decabromodiphenyl ethane decabromodiphenyl ethane: structure in first source	3.06	4
bde 207 2,2',3,3',4,4',5,6,6'-nonabromodiphenyl ether: structure in first source	2.79	3
epoxomicin [no description available]	2.11	1	morpholines; tripeptide	proteasome inhibitor
bde 197 2,2',3,3',4,4',6,6'-octabromodiphenyl ether: a component of DE-79, a technical octabromo diphenyl ether mixture	2.8	3
tribromodiphenyl ether 28 4-bromophenyl 2,4-dibromophenyl ether : A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, and 4' positions have been replaced by bromines.	5.11	39	polybromodiphenyl ether
2,2',4,5'-tetrabromodiphenyl ether [no description available]	3.66	8	aromatic ether; organobromine compound
hexabromodiphenyl ether 154 2,2',4,4',5,6'-hexabromodiphenyl ether: structure in first source	4.17	15	aromatic ether; organobromine compound
bde 183 2,2',3,4,4',5',6-heptabromodiphenyl ether: a polybrominated diphenyl ether compound	3.88	11	aromatic ether; organobromine compound
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	2.99	4
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	2.15	1	glycoside
chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.	3.24	5	chlorophyll; methyl ester	cofactor
glycolipids [no description available]	2.17	1
interleukin-8 Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells.	2.1	1
sybr green i SYBR Green I: binds to double stranded DNA of less than 20 pg following agarose or polyacrylamide gel electrophoresis; excited at 497 nm and emits at 520 nm. SYBR Green I : A benzothiazolium ion resulting from the methylation of the nitrogen of the benzothiazole group of N-[4-(1,3-benzothiazol-2-ylmethylene)-1-phenyl-1,4-dihydroquinolin-2-yl]-N',N'-dimethyl-N-propylpropane-1,3-diamine. A cationic unsymmetrical cyanine dye that binds to double-stranded DNA and is used as a nucleic acid stain in molecular biology.	2.07	1	benzothiazolium ion; cyanine dye; quinolines; tertiary amine	fluorescent dye
2-ethylhexyl 2,3,4,5-tetrabromobenzoate 2-ethylhexyl 2,3,4,5-tetrabromobenzoate: structure in first source	2.15	1
cyclin d1 Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms.	2.51	2
nonachlor nonachlor: component of technical chlordan & heptachlor; RN given refers to cpd without isomeric designation	2.45	2
2,3-dibromopropyl-2,4,6-tribromophenyl ether 2,3-dibromopropyl-2,4,6-tribromophenyl ether: brominated flame retardant; structure in first source	2.11	1
muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.	2.25	1
deoxyguanosine [no description available]	2.45	2	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pheophytin a pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S,11S),4beta,21beta))-isomer	2.13	1
trypan blue Trypan Blue: A diazo-naphthalene sulfonate that is widely used as a stain.. trypan blue : An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid).	2.05	1
8-hydroxy-2'-deoxyguanosine 8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.	2.45	2	guanosines	biomarker
leptin Leptin: A 16-kDa peptide hormone secreted from WHITE ADIPOCYTES. Leptin serves as a feedback signal from fat cells to the CENTRAL NERVOUS SYSTEM in regulation of food intake, energy balance, and fat storage.	2.41	1
phenanthrenes Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof.	2.08	1

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	3.42	6
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	3.42	6
Post-Natal Depression [description not available]	2.41	1
Preterm Birth [description not available]	3.13	4
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	7.37	60
Depression, Postpartum Depression in POSTPARTUM WOMEN, usually within four weeks after giving birth (PARTURITION). The degree of depression ranges from mild transient depression to neurotic or psychotic depressive disorders. (From DSM-IV, p386)	2.41	1
Premature Birth CHILDBIRTH before 37 weeks of PREGNANCY (259 days from the first day of the mother's last menstrual period, or 245 days after FERTILIZATION).	3.13	4
Malignant Melanoma [description not available]	2.41	1
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	2.41	1
Delayed Effects, Prenatal Exposure [description not available]	6.2	18
Disbacteriosis [description not available]	2.96	3
Encephalopathy, Toxic [description not available]	4.12	13
Sterility, Female [description not available]	2.41	1
Infertility, Female Diminished or absent ability of a female to achieve conception.	2.41	1
Diabetes Mellitus, Adult-Onset [description not available]	2.84	3
Insulin Sensitivity [description not available]	2.41	1
Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.	2.84	3
Insulin Resistance Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS.	2.41	1
Acute Liver Injury, Drug-Induced [description not available]	2.72	2
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	2.72	2
Breast Cancer [description not available]	3	4
Breast Neoplasms Tumors or cancer of the human BREAST.	3	4
Birth Weight The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms.	3.05	4
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	2.6	1
Acute Kidney Failure [description not available]	2.6	1
Acute Kidney Injury Abrupt reduction in kidney function. Acute kidney injury encompasses the entire spectrum of the syndrome including acute kidney failure; ACUTE KIDNEY TUBULAR NECROSIS; and other less severe conditions.	7.6	1
Day Blindness [description not available]	2.6	1
Cognitive Decline [description not available]	2.66	2
Cognitive Dysfunction Diminished or impaired mental and/or intellectual function.	2.66	2
Adverse Drug Event [description not available]	2.6	1
Drug-Related Side Effects and Adverse Reactions Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.	2.6	1
Infant, Small for Gestational Age An infant having a birth weight lower than expected for its gestational age.	2.21	1
Experimental Mammary Neoplasms [description not available]	2.25	1
Diathesis [description not available]	2.57	2
Fatty Liver, Nonalcoholic [description not available]	2.25	1
Non-alcoholic Fatty Liver Disease Fatty liver finding without excessive ALCOHOL CONSUMPTION.	2.25	1
Central Hypothyroidism [description not available]	2.25	1
Hypothyroidism A syndrome that results from abnormally low secretion of THYROID HORMONES from the THYROID GLAND, leading to a decrease in BASAL METABOLIC RATE. In its most severe form, there is accumulation of MUCOPOLYSACCHARIDES in the SKIN and EDEMA, known as MYXEDEMA. It may be primary or secondary due to other pituitary disease, or hypothalamic dysfunction.	2.25	1
Infections, Vibrio [description not available]	2.25	1
Neuroblastoma A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51)	9.02	13
Autism Spectrum Disorder Wide continuum of associated cognitive and neurobehavioral disorders, including, but not limited to, three core-defining features: impairments in socialization, impairments in verbal and nonverbal communication, and restricted and repetitive patterns of behaviors. (from DSM-V)	2.31	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.52	2
Thyroid Diseases Pathological processes involving the THYROID GLAND.	2.31	1
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	7.31	1
Complications, Pregnancy [description not available]	2.15	1
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	4.27	17
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	2.15	1
Choriocarcinoma A malignant metastatic form of trophoblastic tumors. Unlike the HYDATIDIFORM MOLE, choriocarcinoma contains no CHORIONIC VILLI but rather sheets of undifferentiated cytotrophoblasts and syncytiotrophoblasts (TROPHOBLASTS). It is characterized by the large amounts of CHORIONIC GONADOTROPIN produced. Tissue origins can be determined by DNA analyses: placental (fetal) origin or non-placental origin (CHORIOCARCINOMA, NON-GESTATIONAL).	2.17	1
Age-Related Memory Disorders [description not available]	2.52	2
Memory Disorders Disturbances in registering an impression, in the retention of an acquired impression, or in the recall of an impression. Memory impairments are associated with DEMENTIA; CRANIOCEREBRAL TRAUMA; ENCEPHALITIS; ALCOHOLISM (see also ALCOHOL AMNESTIC DISORDER); SCHIZOPHRENIA; and other conditions.	2.52	2
Actinic Reticuloid Syndrome [description not available]	2.17	1
Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).	2.87	3
Disease Resistance The capacity of an organism to defend itself against pathological processes or the agents of those processes. This most often involves innate immunity whereby the organism responds to pathogens in a generic way. The term disease resistance is used most frequently when referring to plants.	2.17	1
Infections, Yersinia [description not available]	2.17	1
Pulmonary Arterial Remodeling [description not available]	2.17	1
Weight Gain Increase in BODY WEIGHT over existing weight.	2.55	2
Electron Transport Chain Deficiencies, Mitochondrial [description not available]	2.21	1
Atherosclerotic Parkinsonism [description not available]	2.21	1
Parkinson Disease, Secondary Conditions which feature clinical manifestations resembling primary Parkinson disease that are caused by a known or suspected condition. Examples include parkinsonism caused by vascular injury, drugs, trauma, toxin exposure, neoplasms, infections and degenerative or hereditary conditions. Clinical features may include bradykinesia, rigidity, parkinsonian gait, and masked facies. In general, tremor is less prominent in secondary parkinsonism than in the primary form. (From Joynt, Clinical Neurology, 1998, Ch38, pp39-42)	2.21	1
Mitochondrial Diseases Diseases caused by abnormal function of the MITOCHONDRIA. They may be caused by mutations, acquired or inherited, in mitochondrial DNA or in nuclear genes that code for mitochondrial components. They may also be the result of acquired mitochondria dysfunction due to adverse effects of drugs, infections, or other environmental causes.	2.21	1
Liver Steatosis [description not available]	2.58	2
Cirrhosis [description not available]	2.21	1
Cirrhosis, Liver [description not available]	2.21	1
Fatty Liver Lipid infiltration of the hepatic parenchymal cells resulting in a yellow-colored liver. The abnormal lipid accumulation is usually in the form of TRIGLYCERIDES, either as a single large droplet or multiple small droplets. Fatty liver is caused by an imbalance in the metabolism of FATTY ACIDS.	2.58	2
Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.	2.21	1
Liver Cirrhosis Liver disease in which the normal microcirculation, the gross vascular anatomy, and the hepatic architecture have been variably destroyed and altered with fibrous septa surrounding regenerated or regenerating parenchymal nodules.	2.21	1
Inappropriate GH Secretion Syndrome (Acromegaly) [description not available]	2.08	1
Cat Diseases Diseases of the domestic cat (Felis catus or F. domesticus). This term does not include diseases of the so-called big cats such as CHEETAHS; LIONS; tigers, cougars, panthers, leopards, and other Felidae for which the heading CARNIVORA is used.	2.08	1
Acromegaly A condition caused by prolonged exposure to excessive HUMAN GROWTH HORMONE in adults. It is characterized by bony enlargement of the FACE; lower jaw (PROGNATHISM); hands; FEET; HEAD; and THORAX. The most common etiology is a GROWTH HORMONE-SECRETING PITUITARY ADENOMA. (From Joynt, Clinical Neurology, 1992, Ch36, pp79-80)	2.08	1
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	2.98	4
Benign Neoplasms, Brain [description not available]	2.13	1
Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.	2.13	1
Cancer of Ovary [description not available]	2.13	1
Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.	2.13	1
Hyperglycemia, Postprandial Abnormally high BLOOD GLUCOSE level after a meal.	2.13	1
Hyperglycemia Abnormally high BLOOD GLUCOSE level.	2.13	1
Compensatory Hyperinsulinemia A GLUCOSE-induced HYPERINSULINEMIA, a marker of insulin-resistant state. It is a mechanism to compensate for reduced sensitivity to insulin.	2.15	1
Hyperinsulinism A syndrome with excessively high INSULIN levels in the BLOOD. It may cause HYPOGLYCEMIA. Etiology of hyperinsulinism varies, including hypersecretion of a beta cell tumor (INSULINOMA); autoantibodies against insulin (INSULIN ANTIBODIES); defective insulin receptor (INSULIN RESISTANCE); or overuse of exogenous insulin or HYPOGLYCEMIC AGENTS.	2.15	1
Hyperactivity, Motor [description not available]	2.05	1
Autism [description not available]	2.05	1
Autistic Disorder A disorder beginning in childhood. It is marked by the presence of markedly abnormal or impaired development in social interaction and communication and a markedly restricted repertoire of activity and interest. Manifestations of the disorder vary greatly depending on the developmental level and chronological age of the individual. (DSM-V)	2.05	1
Benign Neoplasms [description not available]	2.05	1
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	2.05	1
Nervous System Disorders [description not available]	2.05	1
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	2.05	1
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	2.45	2
Interstitial Cell Tumor [description not available]	2.07	1
Chromosome-Defective Micronuclei [description not available]	2.03	1
Hormone-Dependent Neoplasms [description not available]	1.99	1
Diffuse Mixed Small and Large Cell Lymphoma [description not available]	1.99	1
Lymphoma, Non-Hodgkin Any of a group of malignant tumors of lymphoid tissue that differ from HODGKIN DISEASE, being more heterogeneous with respect to malignant cell lineage, clinical course, prognosis, and therapy. The only common feature among these tumors is the absence of giant REED-STERNBERG CELLS, a characteristic of Hodgkin's disease.	1.99	1

2,2',4,4'-tetrabromodiphenyl ether

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Synonyms (60)

Research Excerpts

Toxicity

Pharmacokinetics

Compound-Compound Interactions

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Dosage Studied

Drug Classes (2)

Protein Targets (43)

Potency Measurements

Biological Processes (143)

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Ceullar Components (22)

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Research

Studies (704)

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Research Demand Index: 19.30

Study Types

2,2',4,4'-tetrabromodiphenyl ether

Cross-References

Synonyms (60)

Research Excerpts

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Drug Classes (2)

Protein Targets (43)

Potency Measurements

Biological Processes (143)

Molecular Functions (42)

Ceullar Components (22)

Bioassays (17)

Research

Studies (704)

Market Indicators

Research Demand Index: 19.30

Study Types

Related Drugs (207)

Related Conditions (91)