Compounds > 2,4,5,2',4',5'-hexachlorobiphenyl
Page last updated: 2024-11-06

2,4,5,2',4',5'-hexachlorobiphenyl

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2,4,5,2',4',5'-hexachlorobiphenyl, also known as PCB 153, is a highly chlorinated polychlorinated biphenyl (PCB) congener. It is a persistent organic pollutant (POP) that has been widely used in industrial applications, including electrical equipment, hydraulic fluids, and plasticizers. PCB 153 is particularly resistant to degradation and can persist in the environment for decades. It has been detected in various environmental compartments, including soil, water, air, and biota. PCB 153 can bioaccumulate in the food chain, with high levels found in fish and other aquatic organisms. Due to its persistence, bioaccumulation, and potential for adverse health effects, PCB 153 has been the subject of extensive research. Studies have shown that PCB 153 can have a wide range of effects on human health, including endocrine disruption, developmental neurotoxicity, and immune system suppression. It has been linked to various diseases, including cancer, cardiovascular disease, and reproductive disorders. The widespread presence and persistence of PCB 153 in the environment have led to its regulation and restriction under international agreements, such as the Stockholm Convention on Persistent Organic Pollutants. Further research on PCB 153 is ongoing to better understand its environmental fate, human health risks, and the development of remediation strategies to mitigate its environmental and health impacts.'

Cross-References

ID SourceID
PubMed CID37034
CHEMBL ID14377
CHEBI ID34202
SCHEMBL ID258301
MeSH IDM0062251

Synonyms (54)

Synonym
2,4,5,2',4',5'-hexachlorobiphenyl
CHEBI:34202 ,
1,1'-biphenyl, 2,2',4,4',5,5'-hexachloro-
2,2',4,4',5,5'-hexachloro-1,1'-biphenyl
inchi=1/c12h4cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4
35065-27-1
2,2',4,4',5,5'-hexachlorobiphenyl
pcb 153
pcb 153- 2,2'-4,4',5,5'-hexachlorobiphenyl (toxic equivalency factor (tef) evaluation)
NCGC00091421-01
smr000568460
MLS001065598
2,2',4,4'5,5'-hexachlorobiphenyl
2,2',4,4',5,5'-hexachloro-1,1'biphenyl
cb-153 ,
biphenyl, 2,2',4,4',5,5'-hexachloro-
k 153
hsdb 3946
hcbp
ccris 9204
NCGC00091421-02
pcb 153- 2,2'-4,4',5,5'-hexachlorobiphenyl
pcb153
pcb-153 ,
1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene
CHEMBL14377 ,
2,2',4,4',5,5' hexachlorobiphenyl
2,4,5,2',4',5'-hexachloro-biphenyl
HMS3039F13
dtxsid2032180 ,
dtxcid0012180
tox21_202470
cas-35065-27-1
NCGC00260019-01
unii-zru0c9e32o
zru0c9e32o ,
bdbm50408383
pcb no 153
AKOS015903320
SCHEMBL258301
MVWHGTYKUMDIHL-UHFFFAOYSA-N
2,2',4,4',5,5'-hexachlorobiphenyl (iupac no. 153), bcr(r) certified reference material
2,2',4,4',5,5'-hexachlorobiphenyl (iupac no. 153)
pcb no 153, analytical standard
pcb no. 153 10 microg/ml in isooctane
pcb no. 153
J-019850
Q27115899
pcb no. 153 100 microg/ml in acetonitrile
pcb no. 153 100 microg/ml in isooctane
pcb no. 153 100 microg/ml in hexane
(s)-alanyl-(r)-1-aminoethylphosphonicacid
2,2',4,4',5,5'-hexachlorbiphenyl
CS-0451506

Research Excerpts

Toxicity

ExcerptReferenceRelevance
" Mortality was measured 72 h later and corresponding LD50 values were calculated."( Toxicity and 7-ethoxyresorufin O-deethylase-inducing potency of coplanar polychlorinated biphenyls (PCBs) in chick embryos.
Andersson, L; Brunström, B, 1988)		0.27
" LC was slightly more toxic to control hepatocytes than SC in the graded response range of 10-160 microM."( Influences of various xenobiotic inducers on cytocidal toxicity of lasiocarpine and senecionine in primary cultures of rat hepatocytes.
Cameron, RC; Farber, E; Hayes, MA; Jago, MV; Roberts, E; Safe, SH, 1984)		0.27
" These non-additive (antagonistic) interactions of prototypical polychlorinated biphenyl (PCB) congeners may be an important consideration in development of a toxic equivalency factor approach for hazard and risk assessment of PCB mixtures."( Inhibition of 3,3',4,4',5-pentachlorobiphenyl-induced fetal cleft palate and immunotoxicity in C57BL/6 mice by 2,2',4,4',5,5'-hexachlorobiphenyl.
Harper, N; Mayura, K; Phillips, TD; Safe, SH; Zhao, F, )		0.13
" These results demonstrated adverse effects of PCB congeners on bovine oocytes and showed that this system can be used to evaluate toxic effects on oocytes and preimplantation-stage embryos."( In vitro reproductive toxicity of polychlorinated biphenyl congeners 153 and 126.
Farstad, W; Hafne, AL; Krogenaes, AK; Nafstad, I; Skåre, JU, )		0.13
" According to the 24-h acute toxicity test, up to concentration of 210 microg/L, these chemicals were not toxic to Daphnia."( Comparison of toxicity of congener-153 of PCB, PBB, and PBDE to Daphnia magna.
Huhtala, S; Nakari, T, 2008)		0.35
" Results showed the effluent exerting an adverse effect on the algae Scenedesmus bijugatus and the duckweed Lemna paucicostata."( Degradation of polychlorinated biphenyls in aqueous solutions after UV-peroxide treatment: focus on toxicity of effluent to primary producers.
Abella, LC; Gallardo, SM; Macawile, MC; Yu, DN, 2011)		0.37
" Although reports have indicated that young people might have higher PFOS levels in serum or blood than do older people, its adverse effects on neonatal testicular cells had not been investigated previously."( PFOS and PCB 153 have direct adverse effects on neonatal testis modeled using a coculture of primary gonocyte and sertoli cells.
Li, C; Liang, J; Wu, Q; Zhang, J; Zhu, H, 2013)		0.39
" All compounds, except PCB153, induced a dose-dependent increase in toxic effects."( A new spiked sediment assay using embryos of the Japanese medaka specifically designed for a reliable toxicity assessment of hydrophobic chemicals.
Anschutz, P; Budzinski, H; Cachot, J; Deflandre, B; Etcheber, H; LeMenach, K; Leray-Forget, J; Morin, B; Peluhet, L; Vicquelin, L, 2011)		0.37
"Polychlorinated biphenyls (PCBs) are environmental toxicants; PCB exposure has been associated with adverse effects on wildlife and humans."( Evaluating the Role of the Steroid and Xenobiotic Receptor (SXR/PXR) in PCB-153 Metabolism and Protection against Associated Adverse Effects during Perinatal and Chronic Exposure in Mice.
Ambrosio, ME; Blumberg, B; Egusquiza, RJ; Kay, KM; Lehmler, HJ; Wang, SG; Zhang, C, 2020)		0.56
" Toxic effects of ortho-PCB 153 (cytotoxicity, oxidative stress, and cell death) were mitigated by resveratrol."( Resveratrol ameliorates ortho- polychlorinated biphenyls' induced toxicity in ovary cells.
Kmetič, I; Kovač, V; Miletić, M; Murati, T; Petković, T; Pleadin, J; Šimić, B; Štrac, DŠ, 2023)		0.91

Pharmacokinetics

ExcerptReferenceRelevance
" Fecal excretion during this period was 43% of the dose with a terminal half-life of 478 days."( Long-term pharmacokinetics of 2,2',4,4',5,5'-hexachlorobiphenyl (6-CB) in rats with constant adipose tissue mass.
Bickel, MH; Mühlebach, S; Wyss, PA, )		0.13
" This limited excretion was first-order with a half-life of 100 days for the terminal component."( Pharmacokinetics in rats of 2,4,5,2',4',5'-hexachlorobiphenyl, an unmetabolizable lipophilic model compound.
Bickel, MH; Mühlebach, S, 1981)		0.56
" To investigate the lactational transfer of PCBs and compare pharmacokinetic interactions among nonpregnant, lactating mice and suckling pups, quantitative time-course measurements of PCB accumulation in tissues were performed."( Comparison of pharmacokinetic interactions and physiologically based pharmacokinetic modeling of PCB 153 and PCB 126 in nonpregnant mice, lactating mice, and suckling pups.
Lee, SK; Ou, YC; Yang, RS, 2002)		0.31
" Here we present a physiologically based pharmacokinetic (PBPK) model to describe the lactational transfer of PCB 153 with or without PCB 126 in mice."( A physiologically based pharmacokinetic model for lactational transfer of PCB 153 with or without PCB 126 in mice.
Andersen, ME; Lee, SK; Ou, YC; Yang, RS, 2007)		0.34
"We developed a physiologically based pharmacokinetic model of PCB-153 in women, and predict its transfer via lactation to infants."( Population physiologically based pharmacokinetic modeling for the human lactational transfer of PCB-153 with consideration of worldwide human biomonitoring results.
Chen, JW; Hsieh, DP; McKone, TE; Redding, LE; Sohn, MD; Wang, SL; Yang, RS, 2008)		0.35
" Our study used a physiologically based pharmacokinetic (PBPK) model to simulate blood PCB levels during specific pre- and postnatal periods and to evaluate the relation of those levels to infant behaviour."( Alteration of infant attention and activity by polychlorinated biphenyls: unravelling critical windows of susceptibility using physiologically based pharmacokinetic modeling.
Ayotte, P; Charbonneau, M; Dewailly, E; Haddad, S; Jacobson, JL; Jacobson, SW; Muckle, G; Plusquellec, P; Verner, MA, 2010)		0.36
"Physiologically based pharmacokinetic (PBPK) models were developed for the most persistent polychlorinated biphenyl (PCB 153) in male and female harbor porpoises (Phocoena phocoena) to elucidate processes such as uptake, distribution, and elimination."( Physiologically based pharmacokinetic (PBPK) models for lifetime exposure to PCB 153 in male and female harbor porpoises (Phocoena phocoena): model development and evaluation.
Blust, R; Covaci, A; Das, K; Weijs, L; Yang, RS, 2010)		0.36
"We sought to estimate the influence of gestational weight gain on the association between PCB-153 exposure and birth weight using a pharmacokinetic model."( Is the relationship between prenatal exposure to PCB-153 and decreased birth weight attributable to pharmacokinetics?
Andersen, ME; Clewell, HJ; Glynn, A; Longnecker, MP; McDougall, R; Verner, MA, 2013)		0.39
"We modified a recently published pharmacokinetic model and ran Monte Carlo simulations accounting for variability in physiologic parameters and their correlations."( Is the relationship between prenatal exposure to PCB-153 and decreased birth weight attributable to pharmacokinetics?
Andersen, ME; Clewell, HJ; Glynn, A; Longnecker, MP; McDougall, R; Verner, MA, 2013)		0.39
"The plasma PCB-153 level profiles generated with the pharmacokinetic model were comparable to measured levels in 10 pregnant women."( Is the relationship between prenatal exposure to PCB-153 and decreased birth weight attributable to pharmacokinetics?
Andersen, ME; Clewell, HJ; Glynn, A; Longnecker, MP; McDougall, R; Verner, MA, 2013)		0.39
"Physiologically based pharmacokinetic (PBPK) models for wild animal populations such as marine mammals typically have a high degree of model uncertainty and variability due to the scarcity of information and the embryonic nature of this field."( Lifetime PCB 153 bioaccumulation and pharmacokinetics in pilot whales: Bayesian population PBPK modeling and Markov chain Monte Carlo simulations.
Blust, R; Chapman, J; Covaci, A; Edge, K; Housand, C; Lyons, M; Manning, T; McDougall, R; Roach, AC; Tibax, D; Weijs, L; Yang, RS, 2014)		0.4
" As a supplement to human POP biomonitoring studies, a physiologically based pharmacokinetic (PBPK) model was set up to estimate the fate of POPs in Greenlandic Inuit's liver, blood, muscle and adipose tissue following long-term exposure to traditional Greenlandic diet."( Physiologically based pharmacokinetic modeling of POPs in Greenlanders.
Bonefeld-Jørgensen, EC; Dietz, R; Gustavson, K; Krüger, T; Rigét, FF; Sonne, C, 2014)		0.4
" 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
" To assess health risks associated with developmental exposures to LPECs, we developed a pharmacokinetic (PK) model that quantifies mother-to-offspring transfer of LPECs during pregnancy and lactation and facilitates internal dosimetry calculations for offspring."( A Generic Pharmacokinetic Model for Quantifying Mother-to-Offspring Transfer of Lipophilic Persistent Environmental Chemicals.
Carlson, LM; Chiang, C; Dzierlenga, MW; Kapraun, DF; Lehmann, GM; Schlosser, PM; Verner, MA; Zurlinden, TJ, 2022)		0.72

Compound-Compound Interactions

ExcerptReferenceRelevance
"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)		0.36
" 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

Bioavailability

ExcerptReferenceRelevance
" The extractability of BaP and HCBP from sediment using traditional solvents was then compared to the transfer efficiency (TE) of a benthic invertebrate (Lumbriculus variegatus) to relate chemical extractability to bioavailability in the organisms."( Chemical and biological availability of sediment-sorbed benzo[a]pyrene and hexachlorobiphenyl.
Lydy, MJ; Schuler, LJ, 2001)		0.31
" Overall, the bioavailability of HCBP in spiked sediments tended to decrease with duration of aging, based on k(s) values and bioaccumulation factors (BAFs)."( Toxicokinetics of sediment-sorbed benzo[a]pyrene and hexachlorobiphenyl using the freshwater invertebrates Hyalella azteca, Chironomus tentans, and Lumbriculus variegatus.
Bailer, AJ; Lydy, MJ; Schuler, LJ; Wheeler, M, 2003)		0.32
"In bioavailability studies, the biota sediment accumulation factor (BSAF) is invoked to describe the thermodynamic partitioning of a hydrophobic organic contaminant (HOC) between the organism lipid and the organic carbon fraction of the sedimentary matrix and accounts for differences in bioavailability among sediments."( The contrasting roles of sedimentary plant-derived carbon and black carbon on sediment-spiked hydrophobic organic contaminant bioavailability to Diporeia species and Lumbriculus variegatus.
Gossiaux, DC; Gunnarsson, J; Kukkonen, JV; Landrum, PF; Mitra, S; Weston, D, 2005)		0.33
"Black carbon (BC) and chemical properties may play a significant role in defining the bioavailability of hydrophobic organic compounds (HOCs) in sediment."( Influence of black carbon and chemical planarity on bioavailability of sediment-associated contaminants.
Akkanen, J; Kukkonen, JV; Lydy, MJ; Pehkonen, S; You, J, 2010)		0.36
" An existing state of the art probabilistic bioaccumulation model was improved by accounting for bioavailability and absorption efficiency limitations, due to the presence of black carbon in sediment, and was used for probabilistic modeling of variability and propagation of error."( Explaining differences between bioaccumulation measurements in laboratory and field data through use of a probabilistic modeling approach.
Drouillard, K; Eisenreich, K; Koelmans, AA; Palmqvist, A; Ruus, A; Salvito, D; Schultz, I; Selck, H; Stewart, R; van den Brink, NW; van den Heuvel-Greve, M; Weisbrod, A, 2012)		0.38
"05 for both regressions) between the PRC-calibrated equilibrium concentrations of 1,1-dichloro-2,2-bis-(chlorophenyl) ethylene (p,p'-DDE) and polychlorinated biphenyl (PCB)-153 and the lipid normalized levels in worms (Neanthes arenaceodentata) was obtained in co-exposure tests under simulating field conditions, probably resulting from slightly overestimated bioavailability because of the hysteretic desorption of PRCs and toxic effects."( Isotopic exchange on solid-phase micro extraction fiber in sediment under stagnant conditions: Implications for field application of performance reference compound calibration.
Bao, LJ; Gan, J; Jia, F; Wu, X; Zeng, EY, 2016)		0.43

Dosage Studied

ExcerptRelevanceReference
" Following the dosing schedule, animals were killed at 1, 5 and 8 days."( In vivo binding of 2,3,6,2',3',6'-hexachlorobiphenyl and 2,4,5,2',4',5'-hexachlorobiphenyl to mouse liver macromolecules.
Matthews, HB; Morales, NM, 1979)		0.5
"C57BL/6N mice used to model induction of cleft palate and kidney malformations in offspring following maternal treatment with TCDD, were dosed on gestation day (gd) 9 with 2,2',4,4',5,5'-hexachlorobiphenyl (HCB) (62."( Limited PCB antagonism of TCDD-induced malformations in mice.
Birnbaum, LS; Diliberto, JJ; Harris, MW; Morrissey, RE, 1992)		0.28
" Parameters in the model determined from dermal dosing of female Fischer 344 rats were in reasonable agreement with those reported in the literature for adult male Sprague-Dawley rats (iv dose)."( In vivo and in vitro dermal penetration of 2,4,5,2',4',5'-hexachlorobiphenyl in young and adult rats.
Fisher, HL; Hall, LL; Shah, PV; Sumler, MR, 1989)		0.54
" Addition of 8% squalane to the diet 2, 6 and 15 weeks after dosing resulted in a five-fold increase of daily 6-CB excretion in faeces independent of the time of beginning the treatment."( Stimulation of the faecal excretion of 2,4,5,2',4',5'-hexachlorobiphenyl in rats by squalane.
Fichtl, B; Richter, E; Schäfer, SG, 1983)		0.54
" There was slight but significant hepatic and renal ethoxyresorufin O-deethylase (EROD) induction in birds dosed with PCBs 77 and 126."( Comparative toxicity of polychlorinated biphenyls to Japanese quail (Coturnix c. japonica) and American kestrels (Falco sparverius).
Elliott, JE; Kennedy, SW; Lorenzen, A, 1997)		0.3
" Separate groups of mice were given phenobarbital (PB) parenterally by intraperitoneal injection at a dosage of 160 mg/kg/day for 3 days."( Opposite effects of 2,2',4,4',5,5'-hexachlorobiphenyl and 2,3,7,8-tetrachlorodibenzo-p-dioxin on the antibody response to sheep erythrocytes in mice.
Birnbaum, LS; DeVito, MJ; Riddle, MM; Smialowicz, RJ; Williams, WC, 1997)		0.3
" Sediment or algae were dosed with selected radiolabeled polycyclic aromatic hydrocarbon congeners and/or hexachlorobiphenyl (HCBP)."( The assimilation of contaminants from suspended sediment and algae by the zebra mussel, Dreissena polymorpha.
Fisher, SW; Gossiaux, DC; Landrum, PF, 1998)		0.3
" In the PHAH-group dosed 1 microgram TEQ/kg body wt/week, the volume fraction of the liver occupied by foci was significantly lower compared to the TEQ equivalent dosed TCDD group (3."( Induction of altered hepatic foci by a mixture of dioxin-like compounds with and without 2,2',4,4',5,5'-hexachlorobiphenyl in female Sprague-Dawley rats.
Brouwer, A; Haag-Grönlund, M; Koeman, JH; Scheu, G; van den Berg, M; van der Plas, SA; Wärngård, L; Wester, P, 1999)		0.3
" One gram of chromic oxide (Cr2O3) was administered as a digestion marker to dosed calves."( Uptake and excretion of organochlorine compounds in neonatal calves.
Borger, DC; Keller, HL; Willett, LB, 2001)		0.31
" Male and female C57BL/6J mice and Long-Evans rats were dosed orally for 4 consecutive days with either PCB126 (0."( Comparative responsiveness of hypothyroxinemia and hepatic enzyme induction in Long-Evans rats versus C57BL/6J mice exposed to TCDD-like and phenobarbital-like polychlorinated biphenyl congeners.
Craft, ES; Crofton, KM; DeVito, MJ, 2002)		0.31
"Pregnant does (10 goats/group) were dosed orally with either PCB 153 or PCB 126 dissolved in corn oil or only corn oil (control group) from day 60 of gestation until delivery."( Effects of perinatal exposure to low doses of PCB 153 and PCB 126 on lymphocyte proliferation and hematology in goat kids.
Dahl, E; Johansen, G; Larsen, H; Lyche, J; Ropstad, E; Skaare, JU; Tverdal, A, 2004)		0.32
" PCB 153 exposure induced CYP2B1/2 in the centrilobular region, which spread to the midzonal region as the dose increased, but never became panlobular even at the highest dosage tested."( Regional induction of CYP1A1 in rat liver following treatment with mixtures of PCB 126 and PCB 153.
Andersen, ME; Billings, RE; Broccardo, CJ; Chubb, LS; Dean, CE; Hanneman, WH; Legare, ME, )		0.13
"Chemical elimination rate constants (k2) were determined for 41 polychlorinated biphenyl (PCB) congeners in dosed freshwater mussels, Elliptio complanta, following a 150-day laboratory depuration period."( Determination of laboratory and field elimination rates of polychlorinated biphenyls (Pcbs) in the freshwater mussel, Elliptio complanata.
Drouillard, KG; Haffner, GD; O'Rourke, S, 2004)		0.32
" Bioaccumulation experiments were performed with Lumbriculus variegatus and Diporeia species exposed in seven sediments dosed with 2,4,5,2',4',5'-hexachlorobiphenyl (HCBP) and benzo[a]pyrene (BaP) or pyrene (PY) and 3,4,3',4'-tetrachlorobiphenyl (TCBP)."( The contrasting roles of sedimentary plant-derived carbon and black carbon on sediment-spiked hydrophobic organic contaminant bioavailability to Diporeia species and Lumbriculus variegatus.
Gossiaux, DC; Gunnarsson, J; Kukkonen, JV; Landrum, PF; Mitra, S; Weston, D, 2005)		0.53
"Pregnant does (10 goats/group) were dosed orally either with polychlorinated biphenyl (PCB) 153 (98 microg/kg body weight/d) or PCB 126 (ng/kg body weight/d) dissolved in corn oil or with corn oil only (control group) from gestation day (GD) 60 until delivery."( Perinatal exposure to low doses of PCB 153 and PCB 126 affects maternal and neonatal immunity in goat kids.
Johansen, GM; Larsen, HJ; Lyche, JL; Ropstad, E; Skaare, JU; Tverdal, A, 2006)		0.33
" Goat dams were orally dosed with PCB 153 in corn oil (98 microg/kg body wt/day) or PCB 126 (49 ng/kg body wt/day) from day 60 of gestation until delivery."( Perinatal exposure to PCB 153, but not PCB 126, alters bone tissue composition in female goat offspring.
Aleksandersen, M; Larsson, S; Lind, PM; Lundberg, R; Lyche, JL; Orberg, J; Rönn, M; Ropstad, E; Skaare, JU, 2006)		0.33
" Unlike PCB-77, rats receiving PCB-153 did not show the same Se dose-response effect; nevertheless, Se supplementation did not confer protection against foci development."( Effect of dietary selenium on the promotion of hepatocarcinogenesis by 3,3', 4,4'-tetrachlorobiphenyl and 2,2', 4,4', 5,5'-hexachlorobiphenyl.
Glauert, HP; Lehmler, HJ; Morris, JS; Robertson, LW; Spate, VL; Spear, BT; Srinivasan, C; Stemm, DN; Tharappel, JC, 2008)		0.35
" Increases in the incidence of acute and/or chronic active inflammation of the uterus were observed in all dosed groups, including the stop-exposure group (withdrawal after thirty-week exposure) of PeCDF and the 1,000 microg/kg and/or higher group dosed with PCB153."( Reproductive lesions in female Harlan Sprague-Dawley rats following two-year oral treatment with dioxin and dioxin-like compounds.
Brix, AE; Jokinen, MP; Kissling, GE; Nyska, A; Orzech, DP; Sells, DM; Walker, NJ; Wyde, M; Yoshizawa, K, 2009)		0.35
" Comprehensive time course and dose-response studies with 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), non-dioxin-like 2,2',4,4',5,5'-hexachlorobiphenyl (PCB153) and their mixture were performed in immature, ovariectomized C57BL/6 mice."( Non-additive hepatic gene expression elicited by 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) and 2,2',4,4',5,5'-hexachlorobiphenyl (PCB153) co-treatment in C57BL/6 mice.
Archer, KJ; Burgoon, LD; D'Souza, ML; Harkema, JR; Kopec, AK; Mets, BD; Potter, D; Reese, SE; Sharratt, B; Tashiro, C; Zacharewski, TR, 2011)		0.37
" In order to verify the hypotheses that MAPK pathways would play roles in disturbance of TH levels caused by PCBs, and that TH-associated receptors could function in certain MAPK pathway, Sprague-Dawley rats were dosed with PCB153 intraperitoneally (i."( JNK pathway decreases thyroid hormones via TRH receptor: a novel mechanism for disturbance of thyroid hormone homeostasis by PCB153.
Cui, Y; Fu, W; Ha, M; Liu, C; Quan, C; Wang, C; Yan, M; Yang, K; Zhou, J, 2012)		0.38
"24 for three IP dosed non-native PCBs within 6 h after dosing."( Validation of rapid assimilation of PCBs following IP dosing in the round goby (Neogobius melanostomus).
Drouillard, KG; Johnson, TB; O'Neil, JA, 2013)		0.39
"SHR/NCrl and WKY/NHsd, males and females, were orally given PCB 153 dissolved in corn oil at around postnatal day (PND) 8, 14, and 20 at a dosage of 1, 3 or 6 mg/kg bodyweight at each exposure."( Behavioral changes following PCB 153 exposure in the spontaneously hypertensive rat - an animal model of Attention-Deficit/Hyperactivity Disorder.
Bærland, NE; Fonnum, F; Johansen, EB; Lausund, PL; Sagvolden, T; Walaas, SI; Wøien, G, 2014)		0.4
" The data suggest that PCB 153 exposure interacts with strain and sex, and also indicate a non-linear dose-response relation for the behaviors observed."( Behavioral changes following PCB 153 exposure in the spontaneously hypertensive rat - an animal model of Attention-Deficit/Hyperactivity Disorder.
Bærland, NE; Fonnum, F; Johansen, EB; Lausund, PL; Sagvolden, T; Walaas, SI; Wøien, G, 2014)		0.4
" In order to verify the hypothesis that the PI3K/Akt and MAPK pathways play important roles in hepatotoxicity induced by PCBs, Sprague-Dawley (SD) rats were dosed with PCB153 intraperitoneally at 0, 4, 16 and 32mg/kg for five consecutive days; BRL cells (rat liver cell line) were treated with PCB153 (0, 1, 5, and 10μM) for 24h."( Coactivation of the PI3K/Akt and ERK signaling pathways in PCB153-induced NF-κB activation and caspase inhibition.
Fu, W; Liu, C; Qi, S; Quan, C; Wang, C; Yang, J; Yang, K, 2014)		0.4
" In order to elucidate effects of PCBs and DDT on thyroid hormone homeostasis, Sprague-Dawley rats were dosed with PCB153 and p,p'-DDE intraperitoneally (ip) for five consecutive days and sacrificed within 24 h after the last dose."( PCB153 and p,p'-DDE disorder thyroid hormones via thyroglobulin, deiodinase 2, transthyretin, hepatic enzymes and receptors.
Ha, M; Li, L; Liu, C; Yang, K, 2014)		0.4
" To test the hypothesis that the PI3K/Akt and MAPK pathways would play significant roles in TH imbalance caused by PCBs and DDT, Sprague-Dawley rats were dosed with PCB153 and p,p'-DDE intraperitoneally for 5 consecutive days, and human thyroid follicular epithelial (Nthy-ori 3-1 cell line) were treated with PCB153 and p,p'-DDE for different time."( The PI3K/Akt and ERK pathways elevate thyroid hormone receptor β1 and TRH receptor to decrease thyroid hormones after exposure to PCB153 and p,p'-DDE.
Duan, P; Ha, M; Li, L; Liu, C; Qi, S; Yang, K, 2015)		0.42
" We point out the importance of resveratrol dosage considering that synergistic cytotoxic effect with both PCB congeners is observed at concentrations ≥ 10 μM."( Resveratrol ameliorates ortho- polychlorinated biphenyls' induced toxicity in ovary cells.
Kmetič, I; Kovač, V; Miletić, M; Murati, T; Petković, T; Pleadin, J; Šimić, B; Štrac, DŠ, 2023)		0.91
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
hexachlorobiphenylAny polychlorobiphenyl with molecular formula C12H4Cl6.
[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 Targets (24)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency50.11870.631035.7641100.0000AID504339
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency25.72360.001022.650876.6163AID1224839
progesterone receptorHomo sapiens (human)Potency10.24070.000417.946075.1148AID1346795
retinoid X nuclear receptor alphaHomo sapiens (human)Potency8.33470.000817.505159.3239AID1159531; AID588544
farnesoid X nuclear receptorHomo sapiens (human)Potency31.62280.375827.485161.6524AID588526
estrogen nuclear receptor alphaHomo sapiens (human)Potency35.48130.000229.305416,493.5996AID588514
peroxisome proliferator-activated receptor deltaHomo sapiens (human)Potency10.33030.001024.504861.6448AID743215
peroxisome proliferator activated receptor gammaHomo sapiens (human)Potency24.47340.001019.414170.9645AID588536; AID588537; AID743191
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency0.00320.023723.228263.5986AID588543
thyroid stimulating hormone receptorHomo sapiens (human)Potency20.87730.001628.015177.1139AID1224843; AID1259385
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency13.00510.057821.109761.2679AID1159528
chromobox protein homolog 1Homo sapiens (human)Potency56.23410.006026.168889.1251AID540317
thyroid hormone receptor beta isoform aHomo sapiens (human)Potency0.00450.010039.53711,122.0200AID588545
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency32.38400.000323.4451159.6830AID743065; AID743067
mitogen-activated protein kinase 1Homo sapiens (human)Potency19.95260.039816.784239.8107AID995
nuclear factor NF-kappa-B p105 subunit isoform 1Homo sapiens (human)Potency50.11874.466824.832944.6684AID651749
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency71.78380.000627.21521,122.0200AID651741
gemininHomo sapiens (human)Potency0.00520.004611.374133.4983AID624297
lethal factor (plasmid)Bacillus anthracis str. A2012Potency3.16230.020010.786931.6228AID912
Cellular tumor antigen p53Homo sapiens (human)Potency36.17080.002319.595674.0614AID651631; AID651743
Nuclear receptor ROR-gammaHomo sapiens (human)Potency1.33330.026622.448266.8242AID651802
Rap guanine nucleotide exchange factor 4Homo sapiens (human)Potency3.98113.981146.7448112.2020AID720708
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Cytochrome P450 1A1Rattus norvegicus (Norway rat)EC50 (µMol)79.43280.00152.205710.0000AID39064
Aryl hydrocarbon receptorHomo sapiens (human)EC50 (µMol)79.43280.00151.976910.0000AID39064
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (157)

Processvia Protein(s)Taxonomy
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycle G2/M phase transitionCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
ER overload responseCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
mitophagyCellular tumor antigen p53Homo sapiens (human)
in utero embryonic developmentCellular tumor antigen p53Homo sapiens (human)
somitogenesisCellular tumor antigen p53Homo sapiens (human)
release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
hematopoietic progenitor cell differentiationCellular tumor antigen p53Homo sapiens (human)
T cell proliferation involved in immune responseCellular tumor antigen p53Homo sapiens (human)
B cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
T cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
response to ischemiaCellular tumor antigen p53Homo sapiens (human)
nucleotide-excision repairCellular tumor antigen p53Homo sapiens (human)
double-strand break repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
protein import into nucleusCellular tumor antigen p53Homo sapiens (human)
autophagyCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrestCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediatorCellular tumor antigen p53Homo sapiens (human)
transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
Ras protein signal transductionCellular tumor antigen p53Homo sapiens (human)
gastrulationCellular tumor antigen p53Homo sapiens (human)
neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
protein localizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA replicationCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
determination of adult lifespanCellular tumor antigen p53Homo sapiens (human)
mRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
rRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
response to salt stressCellular tumor antigen p53Homo sapiens (human)
response to inorganic substanceCellular tumor antigen p53Homo sapiens (human)
response to X-rayCellular tumor antigen p53Homo sapiens (human)
response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
positive regulation of gene expressionCellular tumor antigen p53Homo sapiens (human)
cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
viral processCellular tumor antigen p53Homo sapiens (human)
glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
cerebellum developmentCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell growthCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
mitotic G1 DNA damage checkpoint signalingCellular tumor antigen p53Homo sapiens (human)
negative regulation of telomere maintenance via telomeraseCellular tumor antigen p53Homo sapiens (human)
T cell differentiation in thymusCellular tumor antigen p53Homo sapiens (human)
tumor necrosis factor-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
regulation of tissue remodelingCellular tumor antigen p53Homo sapiens (human)
cellular response to UVCellular tumor antigen p53Homo sapiens (human)
multicellular organism growthCellular tumor antigen p53Homo sapiens (human)
positive regulation of mitochondrial membrane permeabilityCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
entrainment of circadian clock by photoperiodCellular tumor antigen p53Homo sapiens (human)
mitochondrial DNA repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
transcription initiation-coupled chromatin remodelingCellular tumor antigen p53Homo sapiens (human)
negative regulation of proteolysisCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assemblyCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
response to antibioticCellular tumor antigen p53Homo sapiens (human)
fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
circadian behaviorCellular tumor antigen p53Homo sapiens (human)
bone marrow developmentCellular tumor antigen p53Homo sapiens (human)
embryonic organ developmentCellular tumor antigen p53Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylationCellular tumor antigen p53Homo sapiens (human)
protein stabilizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of helicase activityCellular tumor antigen p53Homo sapiens (human)
protein tetramerizationCellular tumor antigen p53Homo sapiens (human)
chromosome organizationCellular tumor antigen p53Homo sapiens (human)
neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
hematopoietic stem cell differentiationCellular tumor antigen p53Homo sapiens (human)
negative regulation of glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
type II interferon-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
cardiac septum morphogenesisCellular tumor antigen p53Homo sapiens (human)
positive regulation of programmed necrotic cell deathCellular tumor antigen p53Homo sapiens (human)
protein-containing complex assemblyCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stressCellular tumor antigen p53Homo sapiens (human)
thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
necroptotic processCellular tumor antigen p53Homo sapiens (human)
cellular response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
cellular response to xenobiotic stimulusCellular tumor antigen p53Homo sapiens (human)
cellular response to ionizing radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to UV-CCellular tumor antigen p53Homo sapiens (human)
stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
cellular response to actinomycin DCellular tumor antigen p53Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
cellular senescenceCellular tumor antigen p53Homo sapiens (human)
replicative senescenceCellular tumor antigen p53Homo sapiens (human)
oxidative stress-induced premature senescenceCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
oligodendrocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of execution phase of apoptosisCellular tumor antigen p53Homo sapiens (human)
negative regulation of mitophagyCellular tumor antigen p53Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of G1 to G0 transitionCellular tumor antigen p53Homo sapiens (human)
negative regulation of miRNA processingCellular tumor antigen p53Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
negative regulation of pentose-phosphate shuntCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
regulation of fibroblast apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
positive regulation of cellular senescenceCellular tumor antigen p53Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
blood vessel developmentAryl hydrocarbon receptorHomo sapiens (human)
regulation of adaptive immune responseAryl hydrocarbon receptorHomo sapiens (human)
negative regulation of T cell mediated immune response to tumor cellAryl hydrocarbon receptorHomo sapiens (human)
regulation of DNA-templated transcriptionAryl hydrocarbon receptorHomo sapiens (human)
regulation of transcription by RNA polymerase IIAryl hydrocarbon receptorHomo sapiens (human)
xenobiotic metabolic processAryl hydrocarbon receptorHomo sapiens (human)
apoptotic processAryl hydrocarbon receptorHomo sapiens (human)
response to xenobiotic stimulusAryl hydrocarbon receptorHomo sapiens (human)
response to toxic substanceAryl hydrocarbon receptorHomo sapiens (human)
regulation of gene expressionAryl hydrocarbon receptorHomo sapiens (human)
cAMP-mediated signalingAryl hydrocarbon receptorHomo sapiens (human)
intracellular receptor signaling pathwayAryl hydrocarbon receptorHomo sapiens (human)
regulation of B cell proliferationAryl hydrocarbon receptorHomo sapiens (human)
circadian regulation of gene expressionAryl hydrocarbon receptorHomo sapiens (human)
negative regulation of DNA-templated transcriptionAryl hydrocarbon receptorHomo sapiens (human)
positive regulation of DNA-templated transcriptionAryl hydrocarbon receptorHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIAryl hydrocarbon receptorHomo sapiens (human)
negative regulation of inflammatory responseAryl hydrocarbon receptorHomo sapiens (human)
cellular response to molecule of bacterial originAryl hydrocarbon receptorHomo sapiens (human)
cellular response to cAMPAryl hydrocarbon receptorHomo sapiens (human)
cellular response to forskolinAryl hydrocarbon receptorHomo sapiens (human)
cellular response to 2,3,7,8-tetrachlorodibenzodioxineAryl hydrocarbon receptorHomo sapiens (human)
negative regulation of transcription by RNA polymerase IINuclear receptor ROR-gammaHomo sapiens (human)
xenobiotic metabolic processNuclear receptor ROR-gammaHomo sapiens (human)
regulation of glucose metabolic processNuclear receptor ROR-gammaHomo sapiens (human)
regulation of steroid metabolic processNuclear receptor ROR-gammaHomo sapiens (human)
intracellular receptor signaling pathwayNuclear receptor ROR-gammaHomo sapiens (human)
circadian regulation of gene expressionNuclear receptor ROR-gammaHomo sapiens (human)
cellular response to sterolNuclear receptor ROR-gammaHomo sapiens (human)
positive regulation of circadian rhythmNuclear receptor ROR-gammaHomo sapiens (human)
regulation of fat cell differentiationNuclear receptor ROR-gammaHomo sapiens (human)
positive regulation of DNA-templated transcriptionNuclear receptor ROR-gammaHomo sapiens (human)
adipose tissue developmentNuclear receptor ROR-gammaHomo sapiens (human)
T-helper 17 cell differentiationNuclear receptor ROR-gammaHomo sapiens (human)
regulation of transcription by RNA polymerase IINuclear receptor ROR-gammaHomo sapiens (human)
adaptive immune responseRap guanine nucleotide exchange factor 4Homo sapiens (human)
G protein-coupled receptor signaling pathwayRap guanine nucleotide exchange factor 4Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathwayRap guanine nucleotide exchange factor 4Homo sapiens (human)
calcium-ion regulated exocytosisRap guanine nucleotide exchange factor 4Homo sapiens (human)
regulation of exocytosisRap guanine nucleotide exchange factor 4Homo sapiens (human)
insulin secretionRap guanine nucleotide exchange factor 4Homo sapiens (human)
positive regulation of insulin secretionRap guanine nucleotide exchange factor 4Homo sapiens (human)
regulation of synaptic vesicle cycleRap guanine nucleotide exchange factor 4Homo sapiens (human)
Ras protein signal transductionRap guanine nucleotide exchange factor 4Homo sapiens (human)
regulation of insulin secretionRap guanine nucleotide exchange factor 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (47)

Processvia Protein(s)Taxonomy
transcription cis-regulatory region bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
core promoter sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
TFIID-class transcription factor complex bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
protease bindingCellular tumor antigen p53Homo sapiens (human)
p53 bindingCellular tumor antigen p53Homo sapiens (human)
DNA bindingCellular tumor antigen p53Homo sapiens (human)
chromatin bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activityCellular tumor antigen p53Homo sapiens (human)
mRNA 3'-UTR bindingCellular tumor antigen p53Homo sapiens (human)
copper ion bindingCellular tumor antigen p53Homo sapiens (human)
protein bindingCellular tumor antigen p53Homo sapiens (human)
zinc ion bindingCellular tumor antigen p53Homo sapiens (human)
enzyme bindingCellular tumor antigen p53Homo sapiens (human)
receptor tyrosine kinase bindingCellular tumor antigen p53Homo sapiens (human)
ubiquitin protein ligase bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase regulator activityCellular tumor antigen p53Homo sapiens (human)
ATP-dependent DNA/DNA annealing activityCellular tumor antigen p53Homo sapiens (human)
identical protein bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase bindingCellular tumor antigen p53Homo sapiens (human)
protein heterodimerization activityCellular tumor antigen p53Homo sapiens (human)
protein-folding chaperone bindingCellular tumor antigen p53Homo sapiens (human)
protein phosphatase 2A bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingCellular tumor antigen p53Homo sapiens (human)
14-3-3 protein bindingCellular tumor antigen p53Homo sapiens (human)
MDM2/MDM4 family protein bindingCellular tumor antigen p53Homo sapiens (human)
disordered domain specific bindingCellular tumor antigen p53Homo sapiens (human)
general transcription initiation factor bindingCellular tumor antigen p53Homo sapiens (human)
molecular function activator activityCellular tumor antigen p53Homo sapiens (human)
promoter-specific chromatin bindingCellular tumor antigen p53Homo sapiens (human)
nuclear receptor activityAryl hydrocarbon receptorHomo sapiens (human)
transcription cis-regulatory region bindingAryl hydrocarbon receptorHomo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificAryl hydrocarbon receptorHomo sapiens (human)
cis-regulatory region sequence-specific DNA bindingAryl hydrocarbon receptorHomo sapiens (human)
TFIID-class transcription factor complex bindingAryl hydrocarbon receptorHomo sapiens (human)
transcription coactivator bindingAryl hydrocarbon receptorHomo sapiens (human)
DNA bindingAryl hydrocarbon receptorHomo sapiens (human)
DNA-binding transcription factor activityAryl hydrocarbon receptorHomo sapiens (human)
nuclear receptor activityAryl hydrocarbon receptorHomo sapiens (human)
protein bindingAryl hydrocarbon receptorHomo sapiens (human)
TBP-class protein bindingAryl hydrocarbon receptorHomo sapiens (human)
protein homodimerization activityAryl hydrocarbon receptorHomo sapiens (human)
protein heterodimerization activityAryl hydrocarbon receptorHomo sapiens (human)
Hsp90 protein bindingAryl hydrocarbon receptorHomo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingAryl hydrocarbon receptorHomo sapiens (human)
E-box bindingAryl hydrocarbon receptorHomo sapiens (human)
sequence-specific double-stranded DNA bindingAryl hydrocarbon receptorHomo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingNuclear receptor ROR-gammaHomo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificNuclear receptor ROR-gammaHomo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specificNuclear receptor ROR-gammaHomo sapiens (human)
DNA-binding transcription factor activityNuclear receptor ROR-gammaHomo sapiens (human)
protein bindingNuclear receptor ROR-gammaHomo sapiens (human)
oxysterol bindingNuclear receptor ROR-gammaHomo sapiens (human)
zinc ion bindingNuclear receptor ROR-gammaHomo sapiens (human)
ligand-activated transcription factor activityNuclear receptor ROR-gammaHomo sapiens (human)
sequence-specific double-stranded DNA bindingNuclear receptor ROR-gammaHomo sapiens (human)
nuclear receptor activityNuclear receptor ROR-gammaHomo sapiens (human)
guanyl-nucleotide exchange factor activityRap guanine nucleotide exchange factor 4Homo sapiens (human)
protein bindingRap guanine nucleotide exchange factor 4Homo sapiens (human)
cAMP bindingRap guanine nucleotide exchange factor 4Homo sapiens (human)
protein-macromolecule adaptor activityRap guanine nucleotide exchange factor 4Homo sapiens (human)
small GTPase bindingRap guanine nucleotide exchange factor 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (25)

Processvia Protein(s)Taxonomy
nuclear bodyCellular tumor antigen p53Homo sapiens (human)
nucleusCellular tumor antigen p53Homo sapiens (human)
nucleoplasmCellular tumor antigen p53Homo sapiens (human)
replication forkCellular tumor antigen p53Homo sapiens (human)
nucleolusCellular tumor antigen p53Homo sapiens (human)
cytoplasmCellular tumor antigen p53Homo sapiens (human)
mitochondrionCellular tumor antigen p53Homo sapiens (human)
mitochondrial matrixCellular tumor antigen p53Homo sapiens (human)
endoplasmic reticulumCellular tumor antigen p53Homo sapiens (human)
centrosomeCellular tumor antigen p53Homo sapiens (human)
cytosolCellular tumor antigen p53Homo sapiens (human)
nuclear matrixCellular tumor antigen p53Homo sapiens (human)
PML bodyCellular tumor antigen p53Homo sapiens (human)
transcription repressor complexCellular tumor antigen p53Homo sapiens (human)
site of double-strand breakCellular tumor antigen p53Homo sapiens (human)
germ cell nucleusCellular tumor antigen p53Homo sapiens (human)
chromatinCellular tumor antigen p53Homo sapiens (human)
transcription regulator complexCellular tumor antigen p53Homo sapiens (human)
protein-containing complexCellular tumor antigen p53Homo sapiens (human)
nucleusAryl hydrocarbon receptorHomo sapiens (human)
nuclear aryl hydrocarbon receptor complexAryl hydrocarbon receptorHomo sapiens (human)
nucleusAryl hydrocarbon receptorHomo sapiens (human)
nucleoplasmAryl hydrocarbon receptorHomo sapiens (human)
cytoplasmAryl hydrocarbon receptorHomo sapiens (human)
cytosolAryl hydrocarbon receptorHomo sapiens (human)
chromatinAryl hydrocarbon receptorHomo sapiens (human)
transcription regulator complexAryl hydrocarbon receptorHomo sapiens (human)
protein-containing complexAryl hydrocarbon receptorHomo sapiens (human)
cytosolic aryl hydrocarbon receptor complexAryl hydrocarbon receptorHomo sapiens (human)
aryl hydrocarbon receptor complexAryl hydrocarbon receptorHomo sapiens (human)
nucleusNuclear receptor ROR-gammaHomo sapiens (human)
nucleoplasmNuclear receptor ROR-gammaHomo sapiens (human)
nuclear bodyNuclear receptor ROR-gammaHomo sapiens (human)
chromatinNuclear receptor ROR-gammaHomo sapiens (human)
nucleusNuclear receptor ROR-gammaHomo sapiens (human)
cytosolRap guanine nucleotide exchange factor 4Homo sapiens (human)
plasma membraneRap guanine nucleotide exchange factor 4Homo sapiens (human)
membraneRap guanine nucleotide exchange factor 4Homo sapiens (human)
hippocampal mossy fiber to CA3 synapseRap guanine nucleotide exchange factor 4Homo sapiens (human)
plasma membraneRap guanine nucleotide exchange factor 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (19)

Assay IDTitleYearJournalArticle
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID289345Octanol-water partition coefficient, log KOW of the compound2007Science (New York, N.Y.), Jul-13, Volume: 317, Issue:5835
Food web-specific biomagnification of persistent organic pollutants.
AID23673Partition coefficient (logP)2002Bioorganic & medicinal chemistry letters, Apr-08, Volume: 12, Issue:7
Novel estimation of lipophilic behaviour of polychlorinated biphenyls.
AID289346Octanol-air partition coefficient, log KOA of the compound2007Science (New York, N.Y.), Jul-13, Volume: 317, Issue:5835
Food web-specific biomagnification of persistent organic pollutants.
AID289348Biomagnification factors in human2007Science (New York, N.Y.), Jul-13, Volume: 317, Issue:5835
Food web-specific biomagnification of persistent organic pollutants.
AID39064Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)1997Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26
Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications.
AID289347Biomagnification factors in Diporeia2007Science (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]

Research

Studies (514)

TimeframeStudies, This Drug (%)All Drugs %
pre-199062 (12.06)18.7374
1990's56 (10.89)18.2507
2000's140 (27.24)29.6817
2010's223 (43.39)24.3611
2020's33 (6.42)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 20.30

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index20.30 (24.57)
Research Supply Index6.29 (2.92)
Research Growth Index4.82 (4.65)
Search Engine Demand Index19.78 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (20.30)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials2 (0.37%)5.53%
Reviews7 (1.31%)6.00%
Case Studies1 (0.19%)4.05%
Observational0 (0.00%)0.25%
Other524 (98.13%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
benzene
[no description available]		6.9610aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
chlordecone
[no description available]		1.9610cyclic ketone;
organochlorine compound		insecticide;
persistent organic pollutant
choline
[no description available]		1.9910cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
3,4-dihydroxyphenylacetic acid
3,4-Dihydroxyphenylacetic Acid: A deaminated metabolite of LEVODOPA.. (3,4-dihydroxyphenyl)acetic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.. dihydroxyphenylacetic acid : A dihydroxy monocarboxylic acid consisting of phenylacetic acid having two phenolic hydroxy substituents.		2.1710catechols;
dihydroxyphenylacetic acid		human 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.		1.9910dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene		xenobiotic
dimethyl sulfoxide
Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.		2.0310sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
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.		3.1550chlorocyclohexane
glycine
[no description available]		2.4520alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
glycerol
Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.		1.9710alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.		1.9910imidazole
nitrates
Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.		2.1710monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
nitric acid
Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed). nitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms.		2.0410nitrogen oxoacidprotic solvent;
reagent
palmitic acid
Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid.		2.3920long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite
pentachlorophenol
PENTA: structure given in first source		2.4420aromatic 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.'		2.4720ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
pyruvic acid
Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.		2.25102-oxo monocarboxylic acidcofactor;
fundamental metabolite
uracil
2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder		2.0710pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
uric acid
Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.		2.2110uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
bw 284 c 51
[no description available]		1.9910
1-methylimidazole
1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position.		1.9910imidazoles
2,4-dinitrophenol
2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed). dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.. 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions.		1.9810dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
3-methylcholanthrene
Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.. 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.		3.3570ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
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.		2.0610phenolsenvironmental contaminant
tacrine
Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.		1.9910acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acetaminophen
Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.		1.9610acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
atrazine
[no description available]		2.830chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
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.		3.4370ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.		1.9610extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist
chlorpromazine
Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.		3.7530organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
dichlorodiphenyl dichloroethylene
Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT.		7.91760chlorophenylethylene;
monochlorobenzenes		human xenobiotic metabolite;
persistent organic pollutant
ddt
1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source		4.33180benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
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.		3.1850cyclic sulfite ester;
cyclodiene organochlorine insecticide		acaricide;
agrochemical;
GABA-gated chloride channel antagonist;
persistent organic pollutant
erythrosine
Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.		2.0310
glutethimide
Glutethimide: A hypnotic and sedative. Its use has been largely superseded by other drugs.		1.9610piperidines
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.		3.0540cyclodiene organochlorine insecticideagrochemical;
antibacterial agent;
antifungal agent;
GABA-gated chloride channel antagonist;
persistent organic pollutant
imipramine
Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.		3.7530dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
isoproterenol
Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.		2.6930catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
methyl parathion
Methyl Parathion: The methyl homolog of parathion. An effective, but highly toxic, organothiophosphate insecticide and cholinesterase inhibitor.. parathion-methyl : A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4.		2.0110C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
metyrapone
Metyrapone: An inhibitor of the enzyme STEROID 11-BETA-MONOOXYGENASE. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of CUSHING SYNDROME.. metyrapone : An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.		2.0310aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mitotane
Mitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression.		210diarylmethane
deet
N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide.		210benzamides;
monocarboxylic acid amide		environmental contaminant;
insect repellent;
xenobiotic
pentamidine
Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.		1.9910aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
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.		8.84120barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
proadifen
Proadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.		2.3720diarylmethane
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.		2.0310(trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
corticosterone
[no description available]		1.961011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
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.		3.921202-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
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.		3.55802-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
diethylnitrosamine
Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.		3.580nitrosaminecarcinogenic agent;
hepatotoxic agent;
mutagen
physostigmine
Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.		1.9910carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
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)		2.7830cyclodiene organochlorine insecticideGABA-gated chloride channel antagonist;
persistent organic pollutant
9,10-dimethyl-1,2-benzanthracene
9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.		2.0610ortho-fused polycyclic arene;
tetraphenes		carcinogenic agent
bromodeoxyuridine
Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.		2.0210pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
leucine
Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.		1.9910amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
2-aminoisobutyric acid
2-aminoisobutyric acid: RN given refers to unlabeled cpd. 2-aminoisobutyric acid : A rare, non-protein amino acid and end-product of pyrimidine metabolism, excreted in urine and found in some antibiotics of fungal origin. With the exception of a few bacteria, it is non-metabolisable, and therefore used in bioassays.		1.96102,2-dialkylglycine zwitterion;
2,2-dialkylglycine
androstenedione
Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.. androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.		2.392017-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
methionine
Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.		1.9610aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
valine
Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.		1.9910L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
dichlorodiphenyldichloroethane
Dichlorodiphenyldichloroethane: An organochlorine insecticide that is slightly irritating to the skin. (From Merck Index, 11th ed, p482)		2.7330chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		xenobiotic metabolite
perthane
perthane: structure		2.0410
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.		2.1110benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
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.		2.5420bisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
hexachlorobutadiene
hexachlorobutadiene: a potent nephrotoxicant in rats; structure		2.0310organochlorine compound
hexabromobenzene
[no description available]		1.9810
dinoseb
dinoseb: RN given refers to parent cpd; structure. dinoseb : A racemate composed of equimolar amounts of (R)- and (S)-dinoseb.. 2-(butan-2-yl)-4,6-dinitrophenol : A dinitrophenol that is 2,4-dinitrophenol substituted by a butan-2-yl group at position 2.		1.9810dinitrophenol
diphenyl
diphenyl: RN given refers to unlabeled cpd; structure		2.0110aromatic fungicide;
benzenes;
biphenyls		antifungal agrochemical;
antimicrobial food preservative
1,2,4,5-tetrachlorobenzene
1,2,4,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5.		2.0310tetrachlorobenzene
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.		2.0310styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite
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.		2.0310trichlorobenzene
bromobenzene
[no description available]		1.9610bromoarene;
bromobenzenes;
volatile organic compound		hepatotoxic agent;
mouse metabolite;
non-polar solvent
pyrroles
1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.		2.0510pyrrole;
secondary amine
thiophenes
Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.		2.0610mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent
squalane
[no description available]		6.9610
neostigmine bromide
neostigmine bromide : The bromide salt of neostigmine.		1.9910bromide salt
dicofol
Dicofol: An organochlorine insecticide.. dicofol : A tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group.		2.0310monochlorobenzenes;
organochlorine acaricide;
tertiary alcohol
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.		2.0310monochlorobenzenes;
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.		2.8330diester;
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.		5.87221aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
fluoranthene
fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring.		2.7330ortho- and peri-fused polycyclic arene
chrysene
chrysene: structure in Merck Index, 9th ed, #2252. chrysene : An ortho-fused polycyclic arene found commonly in the coal tar.		2.1710ortho-fused polycyclic areneplant metabolite
dibenzo(1,4)dioxin
dibenzo(1,4)dioxin: structure		2.0710dibenzodioxine;
heteranthrene;
mancude organic heterotricyclic parent;
oxacycle;
polycyclic heteroarene
thiazoles
[no description available]		2.05101,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
edrophonium bromide
[no description available]		1.9910
perfluorooctanoic acid
perfluorooctanoic acid: RN given refers to parent cpd. perfluorooctanoic acid : A fluoroalkanoic acid that is perfluorinated octanoic acid.		2.1310fluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
dihydrotestosterone
Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.		2.482017beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
azomycin
azomycin: RN given refers to parent cpd with specified locant; structure		1.9910C-nitro compound;
imidazoles		antitubercular agent
decamethylcyclopentasiloxane
[no description available]		2.110organosilicon compound
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.		2.110dialdehydebiomarker
octamethylcyclotetrasiloxane
octamethylcyclotetrasiloxane: structure. octamethylcyclotetrasiloxane : A cyclosiloxane that is the octamethyl derivative of cyclotetrasiloxane.		2.110cyclosiloxane;
organosilicon compound
alpha-naphthoflavone
alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4. alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14).		3.1250extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor
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.		2.0310pentachlorobenzenespersistent organic pollutant
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.		2.0510acetylcysteine;
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
c.i. 42510
Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin.		1.9610
2-methylimidazole
[no description available]		1.9910
9-methylanthracene
[no description available]		2.1710
chlormequat
Chlormequat: A plant growth regulator that is commonly used on ornamental plants.. chlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants.		1.9910quaternary ammonium ionplant growth retardant
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.		2.4620polybromodiphenyl etherneurotoxin
methylmercury hydroxide
[no description available]		2.0310
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.		210alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
3-hydroxyphenyltrimethylammonium
3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure		1.9910
1-methyl-2-nitroimidazole
[no description available]		1.9910
2,3,7,8-tetrachlorodibenzodioxine
Tetrachlorodibenzodioxin: A mixture of isomers.		1.9910polychlorinated dibenzodioxine
paraquat
Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.		2.0510organic cationgeroprotector;
herbicide
3,3'-dichlorobiphenyl
[no description available]		2.3110
4,4'-dichlorobiphenyl
4,4'-dichlorobiphenyl : A dichlorobiphenyl carrying chloro groups at positions 4 and 4' respectively.		2.6730dichlorobiphenyl;
monochlorobenzenes
decachlorobiphenyl
decachlorobiphenyl: structure. decachlorobiphenyl : A polychlorobiphenyl that is biphenyl in which all of the hydrogens are replaced by chlorines.		2.940pentachlorobenzenes;
polychlorobiphenyl
3-chlorobiphenyl
3-chlorobiphenyl: RN given refers to cpd with specified locant for chlorine		2.3920monochlorobiphenyl
4-chlorobiphenyl
4-chlorobiphenyl : A monochlorobiphenyl carrying a chloro substituent at position 4.		2.4220monochlorobiphenyl
octachloronaphthalene
Perna: A genus of freshwater mussel in the family MYTILIDAE, class BIVALVIA. It is found in tropical and warm temperate coastal waters. Most species have green in their shells.		1.9810
mirex
Mirex: An organochlorine insecticide that is carcinogenic.		2.0310chlorocarbon;
organochlorine insecticide		persistent organic pollutant
2,4,2',4'-tetrachlorobiphenyl
2,4,2',4'-tetrachlorobiphenyl: structure. 2,2',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines.		2.4220dichlorobenzene;
tetrachlorobiphenyl
butyrylcholine
butyrylcholine: RN given refers to parent cpd		1.9910acylcholine
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.		2.610aromatic fungicide;
dichlorobenzene;
dimethoxybenzene		antifungal agrochemical
octachlorodibenzo-4-dioxin
octachlorodibenzo-4-dioxin: RN given refers to unlabeled parent cpd		2.420polychlorinated dibenzodioxine
butyrylthiocholine
Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity.. butyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity.		1.9910quaternary ammonium ion
n-methylaspartate
N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration.		2.0510amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent
2,4,4'-trichlorobiphenyl
[no description available]		4.13150
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.		3.570elemental mercury;
zinc group element atom		neurotoxin
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.		2.4420cadmium 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.		210chromium group element atom;
metal allergen		micronutrient
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.		2.1510diatomic bromine
deuterium
Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.		2.1310dihydrogen
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.		2.7730diatomic chlorine;
gas molecular entity		bleaching agent
2,2'-dichlorobiphenyl
[no description available]		2.0110
tetradecanoylphorbol acetate
Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.		2.420acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
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.		340ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
2-chlorodibenzofuran
2-chlorodibenzofuran: structure		1.9910
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.		2.4520glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
1,2,3,4-tetrachlorodibenzodioxin
1,2,3,4-tetrachlorodibenzodioxin: structure given in first source		1.9910polychlorinated dibenzodioxine
pcb 118
[no description available]		4.77290dichlorobenzene;
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.		2.0310polybromodiphenyl 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.		4.92360dichlorobenzene;
tetrachlorobiphenyl
2,3,3',4,4'-pentachlorobiphenyl
[no description available]		3.1450dichlorobenzene;
pentachlorobiphenyl;
trichlorobenzene
pcb 74
[no description available]		2.0510
3,4,5,3',4',5'-hexachlorobiphenyl
[no description available]		3.5890hexachlorobiphenyl;
trichlorobenzene
kc 400
KC 400: mixture of polychlorinated biphenyls. 3,3',5,5'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which both phenyl groups are substituted by chlorines at positions 3 and 5.		2.9140dichlorobenzene;
tetrachlorobiphenyl
2,3,4,5-tetrachlorobiphenyl
tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4.		2.420tetrachlorobenzene;
tetrachlorobiphenyl
2,4,6,2',4',6'-hexachlorobiphenyl
2,2',4,4',6,6'-hexachlorobiphenyl : A hexachlorobiphenyl that is biphenyl in which both of the phenyl rings are substituted at positons 2, 4, and 6 by chlorines.		2.3620hexachlorobiphenyl;
trichlorobenzene
1,2,7,8-tetrachlorodibenzo-p-dioxin
1,2,7,8-tetrachlorodibenzo-p-dioxin: structure in first source		2.4320
2,2',3',4,4',5-hexachlorobiphenyl
[no description available]		6.07261polychlorobiphenyl
pcb 180
PCB 180: C12-H3-Cl7		5.91221polychlorobiphenyl
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.		4.13150dichlorobenzene;
tetrachlorobiphenyl
2,3,5,2',3',5'-hexachlorobiphenyl
2,2',3,3',5,5'-hexachlorobiphenyl : A hexachlorobiphenyl that is biphenyl in which the hydrogens at the 2, 3, and 5 positions of each of the benzene rings are replaced by chlorines.		2.6530hexachlorobiphenyl;
trichlorobenzene
2,2',5-trichlorobiphenyl
[no description available]		2.420
2,4,5,2',5'-pentachlorobiphenyl
[no description available]		4.15150
thiocholine
Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.		1.9910
2,2',3,5',6-pentachlorobiphenyl
[no description available]		2.1710
2,3,4,2',3',4'-hexachlorobiphenyl
[no description available]		2.6630
2,3,3',4,4',5-hexachlorobiphenyl
[no description available]		2.7730dichlorobenzene;
hexachlorobiphenyl;
tetrachlorobenzene
2,3,6,2',3',6'-hexachlorobiphenyl
[no description available]		8.3570hexachlorobiphenyl
2,8-dichlorodibenzo-4-dioxin
2,8-dichlorodibenzo-4-dioxin: metabolite for 2,3,7,8-TCDD		1.9910
1,2,3,4,7,8-hexachlorodibenzodioxin
1,2,3,4,7,8-hexachlorodibenzodioxin: structure given in first source		1.9910polychlorinated dibenzodioxine
1,2,4-trichlorodibenzo-1,4-dioxin
1,2,4-trichlorodibenzo-1,4-dioxin: structure given in first source		1.9910
1,2,3,7,8-pentachlorodibenzo-p-dioxin
[no description available]		7.6830polychlorinated dibenzodioxine
2,3,7,8-tetrabromodibenzo-4-dioxin
2,3,7,8-tetrabromodibenzo-4-dioxin: structure given in first source. 2,3,7,8-tetrabromodibenzodioxine : An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8.		1.9910dibenzodioxine;
organobromine compound
2,3,7,8-tetrachlorodibenzofuran
2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol		2.4520polychlorinated dibenzofuran
permethrin
hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141		2.0510cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
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).		3.2460
2,3,4,7,8-pentachlorodibenzofuran
2,3,4,7,8-pentachlorodibenzofuran: structure given in first source		3.3870polychlorinated dibenzofuran
1,2,3,7,8-pentachlorodibenzofuran
1,2,3,7,8-pentachlorodibenzofuran: structure given in first source; RN given refers to parent cpd		1.9910polychlorinated dibenzofuran
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.		2.7930brominated flame retardant;
polybromobiphenyl
1,2,3,4,7,8-hexachlorodibenzofuran
[no description available]		1.9910polychlorinated dibenzofuran
2,3,4,4'5-pentachlorobiphenyl
[no description available]		2.4220monochlorobenzenes;
pentachlorobiphenyl;
tetrachlorobenzene
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane: structure given in first source		1.9910
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.		2.0310C-nitro compoundcarcinogenic 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.		10.51640pentachlorobiphenyl;
trichlorobenzene
propamidine
propamidine: structure given in first source. propamidine : A polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis.		1.9910aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
norharman
norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.		1.9910beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
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.		2.0510organic bromide saltcolorimetric reagent;
dye
hexamidine
hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.		1.9910aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
2-ethylimidazole
[no description available]		1.9910
2-phenylimidazole
[no description available]		1.9910
leupeptin
[no description available]		2.4520aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor
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.		2.520perfluoroalkanesulfonic acidantilipemic drug;
persistent organic pollutant
2-aminoimidazole
2-aminoimidazole: from catabolism of arginine		1.9910
hexyltrimethylammonium
hexyltrimethylammonium: RN given refers to parent cpd		1.9910
trimethyl(4-oxopentyl)ammonium
trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag. N,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl.		1.9910quaternary ammonium ion
2,2',4,6,6'-pentachlorobiphenyl
[no description available]		3.4611
2,2',4,4'-tetrabromodiphenyl ether
[no description available]		4.48210aromatic ether;
organobromine compound
endosulfan ether
[no description available]		2.1710
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one
[no description available]		1.9910
arginyl-glycyl-aspartic acid
arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system		2.0510oligopeptide
diacetyldichlorofluorescein
diacetyldichlorofluorescein: stable storage form of dichlorofluorescein		2.0310
beta-carboline-3-carboxylic acid ethyl ester
beta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first source		1.9910beta-carbolines
beta-carboline-3-carboxylic acid methyl ester
beta-carboline-3-carboxylic acid methyl ester: structure given in first source		1.9910beta-carbolines
3,4-dihydroxyphenylacetaldehyde
3,4-dihydroxyphenylacetaldehyde : A phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups.		2.1710alpha-CH2-containing aldehyde;
catechols;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite
7-methoxyresorufin
[no description available]		1.9910
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.		2.1310fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite
1,3-di(4-imidazolinophenoxyl)propane
1,3-di(4-imidazolinophenoxyl)propane: structure given in first source		1.9910
3-ethoxy-beta-carboline
3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties		1.9910
tert-butyl beta-carboline-3-carboxylate
tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist		1.9910
butamidine
butamidine: RN refers to HCl; structure in first source		1.9910
2-chlorobiphenyl
2-chlorobiphenyl: RN from Toxlit. 2-chlorobiphenyl : A monochlorobiphenyl carrying a single chloro substituent at position 2.. monochlorobiphenyl : A chlorobiphenyl carrying a single chloro substituent at unspecified position.. chlorobiphenyl : A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups.		2.0310monochlorobiphenyl
anisomycin
Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.. (-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.		210monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.		3.72100
methylmercuric chloride
methylmercuric chloride: RN given refers to unlabeled cpd		2.0310chlorine molecular entity;
mercury coordination entity;
one-carbon compound
leupeptins
Leupeptins: A group of acylated oligopeptides produced by Actinomycetes that function as protease inhibitors. They have been known to inhibit to varying degrees trypsin, plasmin, KALLIKREINS, papain and the cathepsins.		2.7430
arachidonic acid
icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.		2.0410icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid		Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration.		2.610resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
retinol
Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol 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).		1.9810retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
cyanoginosin lr
cyanoginosin LR: cyclic heptapeptide from cyanobacterium Microcystis aeruginosa. microcystin-LR : A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins.		2.0710microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
oleic acid
Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.		210octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
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.		2.0310olefinic 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
afimoxifene
afimoxifene : A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen.		2.0310phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite
dactinomycin
Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)		210actinomycinmutagen
benzyloxycarbonylleucyl-leucyl-leucine aldehyde
benzyloxycarbonylleucyl-leucyl-leucine aldehyde: proteasome inhibitor. N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal : A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative.		2.0510amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor
3-chlorodibenzofuran
3-chlorodibenzofuran: structure given in first source		1.9910
diisononyl phthalate
diisononyl phthalate: dielectric (electric insulating) fluid. diisononyl phthalate : The diisononyl ester of benzene-1,2-dicarboxylic acid.		2.1110diester;
phthalate ester		plasticiser
squalene
Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate		1.9610triterpenehuman metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae 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.		2.730epoxide;
organochlorine compound;
organochlorine insecticide		carcinogenic agent;
xenobiotic
methimazole
Methimazole: A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme.. methimazole : A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.		2101,3-dihydroimidazole-2-thionesantithyroid drug
D-fructopyranose
[no description available]		2.0210cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent
tamoxifen
[no description available]		2.0310stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
tocopherylquinone
tocopherylquinone: RN refers to (3R-(3R*,7R*,11R*))-isomer; structure		210
nadp
[no description available]		2.0310
thiopental
Thiopental: A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.. thiopental : A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.		8.7530barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
1-(4-hydroxybenzyl)imidazole-2-thiol
1-(4-hydroxybenzyl)imidazole-2-thiol: RN & structure given in first source; RN not in Chemline 3/87		1.9910
3-propoxy-beta-carboline
3-propoxy-beta-carboline: structure in first source		1.9910
sphingosine
sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4.		2.1510sphing-4-eninehuman metabolite;
mouse metabolite
vitamin k semiquinone radical
vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors.		2.3920
retinol palmitate
retinol palmitate: RN given refers to parent cpd; structure. retinyl palmitate : A palmitate ester of retinol with undefined geometry about the C=C bonds.. all-trans-retinyl palmitate : An all-trans-retinyl ester obtained by formal condensation of the carboxy group of palmitic (hexadecanoic acid) with the hydroxy group of all-trans-retinol. It is used in cosmetic products to treat various skin disorders such as acne, skin aging, wrinkles, dark spots, and also protect against psoriasis.		1.9810all-trans-retinyl ester;
retinyl palmitate		antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite
senecionine
senecionine: RN given refers to parent cpd; structure. senecionine : A pyrrolizidine alkaloid isolated from the plant species of the genus Senecio.		1.9610lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite
harman
harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A.		1.9910harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
sphingosine 1-phosphate
sphingosine 1-phosphate: RN given refers to (R-(R*,S*-(E)))-isomer; RN for cpd without isomeric designation not available 8/89. sphingosine 1-phosphate : A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1		2.1510sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent
morphine
Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.		1.9610morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
1-Ethyl-9H-pyrido[3,4-b]indole
[no description available]		1.9910harmala alkaloid
lead
Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.		2.8330carbon group element atom;
elemental lead;
metal atom		neurotoxin
triphenyltin
triphenyltin: triphenyltin derivatives widely used as pesticides; all of first source is triphenyltin cpds		2.0410
coomassie brilliant blue
[no description available]		1.9610
lasiocarpine
lasiocarpine: RN given refers to parent cpd(1S-(1alpha(Z),7(2S*,3R*),7aalpha))-isomer; structure		1.9610pyrrolizines
selenium
Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE.		2.7530chalcogen;
nonmetal atom		micronutrient
sk&f 102698
[no description available]		1.9910
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.		2.0310organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
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.		2.4520
cholecystokinin
Cholecystokinin: A peptide, of about 33 amino acids, secreted by the upper INTESTINAL MUCOSA and also found in the central nervous system. It causes gallbladder contraction, release of pancreatic exocrine (or digestive) enzymes, and affects other gastrointestinal functions. Cholecystokinin may be the mediator of satiety.		210
atrial natriuretic factor
Atrial Natriuretic Factor: A potent natriuretic and vasodilatory peptide or mixture of different-sized low molecular weight PEPTIDES derived from a common precursor and secreted mainly by the HEART ATRIUM. All these peptides share a sequence of about 20 AMINO ACIDS.		210polypeptide
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.		2.110chlorophyll;
methyl ester		cofactor
sphingosine kinase
[no description available]		2.1510
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.		2.1110
opium
oxychlordane: metabolite of chlordan more toxic to mammals than parent cpd; structure		2.7830oxanes
difenacoum
diphenacoum: structure in first source		1.9810benzenes;
naphthalenes;
ring assembly
epidermal growth factor
Epidermal Growth Factor: A 6-kDa polypeptide growth factor initially discovered in mouse submaxillary glands. Human epidermal growth factor was originally isolated from urine based on its ability to inhibit gastric secretion and called urogastrone. Epidermal growth factor exerts a wide variety of biological effects including the promotion of proliferation and differentiation of mesenchymal and EPITHELIAL CELLS. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form.		2.420
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.		2.0510
nonachlor
nonachlor: component of technical chlordan & heptachlor; RN given refers to cpd without isomeric designation		2.7830
aldrin
Aldrin: A highly poisonous substance that was formerly used as an insecticide. The manufacture and use has been discontinued in the U.S. (From Merck Index, 11th ed). aldrin : An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant.		2.0710
cyclic gmp
Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed). 3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine.		2.45203',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
deoxyguanosine
[no description available]		2.4520purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
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).		2.0510
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.		2.4520guanosinesbiomarker
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.		2.520
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.		2.4720
ConditionIndicatedRelationship StrengthStudiesTrials
Innate Inflammatory Response
[description not available]		03.1850
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.		03.1850
Encephalopathy, Toxic
[description not available]		03.0340
Arthritis, Degenerative
[description not available]		02.4110
Osteoarthritis
A progressive, degenerative joint disease, the most common form of arthritis, especially in older persons. The disease is thought to result not from the aging process but from biochemical changes and biomechanical stresses affecting articular cartilage. In the foreign literature it is often called osteoarthrosis deformans.		02.4110
Pregnancy
The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.		015.28921
Adolescent Obesity
[description not available]		02.610
Delayed Effects, Prenatal Exposure
[description not available]		07.24351
Diabetes Mellitus, Adult-Onset
[description not available]		03.1950
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.		03.1950
Diabetes Mellitus, Gestational
[description not available]		03.5210
Diabetes, Gestational
Diabetes mellitus induced by PREGNANCY but resolved at the end of pregnancy. It does not include previously diagnosed diabetics who become pregnant (PREGNANCY IN DIABETICS). Gestational diabetes usually develops in late pregnancy when insulin antagonistic hormones peaks leading to INSULIN RESISTANCE; GLUCOSE INTOLERANCE; and HYPERGLYCEMIA.		03.5210
Cancer of Prostate
[description not available]		02.610
Prostatic Neoplasms
Tumors or cancer of the PROSTATE.		02.610
Hyperuricemia
Excessive URIC ACID or urate in blood as defined by its solubility in plasma at 37 degrees C; greater than 0.42mmol per liter (7.0mg/dL) in men or 0.36mmol per liter (6.0mg/dL) in women. This condition is caused by overproduction of uric acid or impaired renal clearance. Hyperuricemia can be acquired, drug-induced or genetically determined (LESCH-NYHAN SYNDROME). It is associated with HYPERTENSION and GOUT.		02.7220
Sterility, Female
[description not available]		02.610
Polycystic Ovarian Syndrome
[description not available]		02.610
Infertility, Female
Diminished or absent ability of a female to achieve conception.		02.610
Polycystic Ovary Syndrome
A complex disorder characterized by infertility, HIRSUTISM; OBESITY; and various menstrual disturbances such as OLIGOMENORRHEA; AMENORRHEA; ANOVULATION. Polycystic ovary syndrome is usually associated with bilateral enlarged ovaries studded with atretic follicles, not with cysts. The term, polycystic ovary, is misleading.		02.610
Breast Cancer
[description not available]		03.1550
Breast Neoplasms
Tumors or cancer of the human BREAST.		03.1550
Abdominal Cryptorchidism
[description not available]		02.5820
Dyslipidemia
[description not available]		02.2510
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).		03.790
Dyslipidemias
Abnormalities in the serum levels of LIPIDS, including overproduction or deficiency. Abnormal serum lipid profiles may include high total CHOLESTEROL, high TRIGLYCERIDES, low HIGH DENSITY LIPOPROTEIN CHOLESTEROL, and elevated LOW DENSITY LIPOPROTEIN CHOLESTEROL.		02.2510
Insulin Sensitivity
[description not available]		02.8230
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.		02.8230
Weight Reduction
[description not available]		02.4620
Weight Loss
Decrease in existing BODY WEIGHT.		02.4620
ADDH
[description not available]		02.8130
Attention Deficit Disorder with Hyperactivity
A behavior disorder originating in childhood in which the essential features are signs of developmentally inappropriate inattention, impulsivity, and hyperactivity. Although most individuals have symptoms of both inattention and hyperactivity-impulsivity, one or the other pattern may be predominant. The disorder is more frequent in males than females. Onset is in childhood. Symptoms often attenuate during late adolescence although a minority experience the full complement of symptoms into mid-adulthood. (From DSM-V)		02.8130
Degenerative Diseases, Central Nervous System
[description not available]		02.2110
Neurodegenerative Diseases
Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.		02.2110
Experimental Hepatoma
[description not available]		03.580
Cocarcinogenesis
The combination of two or more different factors in the production of cancer.		02.6930
Fatty Liver, Nonalcoholic
[description not available]		02.4820
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.9940
Liver Steatosis
[description not available]		02.4820
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.		02.4820
Non-alcoholic Fatty Liver Disease
Fatty liver finding without excessive ALCOHOL CONSUMPTION.		02.4820
Anterior Choroidal Artery Infarction
[description not available]		02.0810
Cerebral Infarction
The formation of an area of NECROSIS in the CEREBRUM caused by an insufficiency of arterial or venous blood flow. Infarcts of the cerebrum are generally classified by hemisphere (i.e., left vs. right), lobe (e.g., frontal lobe infarction), arterial distribution (e.g., INFARCTION, ANTERIOR CEREBRAL ARTERY), and etiology (e.g., embolic infarction).		02.0810
Birth Weight
The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms.		04.2160
Weight Gain
Increase in BODY WEIGHT over existing weight.		03.4270
Brucella Infection
[description not available]		02.110
Brucellosis
Infection caused by bacteria of the genus BRUCELLA mainly involving the MONONUCLEAR PHAGOCYTE SYSTEM. This condition is characterized by fever, weakness, malaise, and weight loss.		02.110
Adrenocortical Carcinoma
A malignant neoplasm of the ADRENAL CORTEX. Adrenocortical carcinomas are unencapsulated anaplastic (ANAPLASIA) masses sometimes exceeding 20 cm or 200 g. They are more likely to be functional than nonfunctional, and produce ADRENAL CORTEX HORMONES that may result in hypercortisolism (CUSHING SYNDROME); HYPERALDOSTERONISM; and/or VIRILISM.		02.110
Body Weight
The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.		04.64270
Breathing Sounds
[description not available]		03.4220
Bronchitis
Inflammation of the large airways in the lung including any part of the BRONCHI, from the PRIMARY BRONCHI to the TERTIARY BRONCHI.		03.3920
Respiratory Sounds
Noises, normal and abnormal, heard on auscultation over any part of the RESPIRATORY TRACT.		03.4220
Respiratory Tract Diseases
Diseases involving the RESPIRATORY SYSTEM.		03.0110
Deafness, Transitory
[description not available]		02.110
Hearing Loss
A general term for the complete or partial loss of the ability to hear from one or both ears.		02.110
Cancer of Endometrium
[description not available]		02.1110
Endometrial Neoplasms
Tumors or cancer of ENDOMETRIUM, the mucous lining of the UTERUS. These neoplasms can be benign or malignant. Their classification and grading are based on the various cell types and the percent of undifferentiated cells.		02.1110
Asthma, Bronchial
[description not available]		02.1110
Dermatitis, Eczematous
[description not available]		02.1110
Asthma
A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).		02.1110
Eczema
A pruritic papulovesicular dermatitis occurring as a reaction to many endogenous and exogenous agents (Dorland, 27th ed).		02.1110
Diseases, Metabolic
[description not available]		02.5220
Metabolic Diseases
Generic term for diseases caused by an abnormal metabolic process. It can be congenital due to inherited enzyme abnormality (METABOLISM, INBORN ERRORS) or acquired due to disease of an endocrine organ or failure of a metabolically important organ such as the liver. (Stedman, 26th ed)		02.5220
Leucocythaemia
[description not available]		02.1110
Leukemia
A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)		02.1110
Koch's Disease
[description not available]		02.1310
Tuberculosis
Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.		02.1310
Autoimmune Diabetes
[description not available]		02.4920
Diabetes Mellitus, Type 1
A subtype of DIABETES MELLITUS that is characterized by INSULIN deficiency. It is manifested by the sudden onset of severe HYPERGLYCEMIA, rapid progression to DIABETIC KETOACIDOSIS, and DEATH unless treated with insulin. The disease may occur at any age, but is most common in childhood or adolescence.		02.4920
Impaired Glucose Tolerance
[description not available]		02.1510
Cardiometabolic Syndrome
A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components not only include metabolic dysfunctions of METABOLIC SYNDROME but also HYPERTENSION, and ABDOMINAL OBESITY.		02.1510
Glucose Intolerance
A pathological state in which BLOOD GLUCOSE level is less than approximately 140 mg/100 ml of PLASMA at fasting, and above approximately 200 mg/100 ml plasma at 30-, 60-, or 90-minute during a GLUCOSE TOLERANCE TEST. This condition is seen frequently in DIABETES MELLITUS, but also occurs with other diseases and MALNUTRITION.		02.1510
Metabolic Syndrome
A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components of metabolic syndrome include ABDOMINAL OBESITY; atherogenic DYSLIPIDEMIA; HYPERTENSION; HYPERGLYCEMIA; INSULIN RESISTANCE; a proinflammatory state; and a prothrombotic (THROMBOSIS) state.		02.1510
Hormone-Dependent Neoplasms
[description not available]		02.0410
Atherogenesis
[description not available]		02.0410
Atherosclerosis
A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA.		02.0410
Cancer of Liver
[description not available]		02.9540
Liver Neoplasms
Tumors or cancer of the LIVER.		02.9540
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)		03.1550
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)		04.5251
Chromosome-Defective Micronuclei
[description not available]		02.0510
Ache
[description not available]		02.0510
Pain
An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.		02.0510
Carcinoma, Epidermoid
[description not available]		02.0510
Atypical Endometrial Hyperplasia
A benign form of endometrial hyperplasia with increased number of cells with atypia. The atypical cells are large and irregular and have an increased nuclear/cytoplasmic ratio. The risk of progression to endometrial carcinoma rises with the increasing degree of cell atypia.		02.0510
Metaplasia
A condition in which there is a change of one adult cell type to another similar adult cell type.		02.0510
Cancer of the Uterus
[description not available]		02.0510
Carcinoma, Squamous Cell
A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)		02.0510
Endometrial Hyperplasia
Benign proliferation of the ENDOMETRIUM in the UTERUS. Endometrial hyperplasia is classified by its cytology and glandular tissue. There are simple, complex (adenomatous without atypia), and atypical hyperplasia representing also the ascending risk of becoming malignant.		02.0510
Uterine Neoplasms
Tumors or cancer of the UTERUS.		02.0510
Fetal Death
Death of the developing young in utero. BIRTH of a dead FETUS is STILLBIRTH.		02.3920
Recrudescence
[description not available]		02.0510
Infections, Respiratory
[description not available]		02.0510
Bronchiolitis
Inflammation of the BRONCHIOLES.		02.0510
Respiratory Tract Infections
Invasion of the host RESPIRATORY SYSTEM by microorganisms, usually leading to pathological processes or diseases.		02.0510
Aging
The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.		03.2560
Cholangiocellular Carcinoma
[description not available]		02.0510
Hepatocellular Carcinoma
[description not available]		02.0510
Carcinoma, Hepatocellular
A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.		02.0510
Cholangiocarcinoma
A malignant tumor arising from the epithelium of the BILE DUCTS.		02.0510
Encephalopathy, Mercury
[description not available]		02.7430
Apoplexy
[description not available]		02.0710
Brain Vascular Disorders
[description not available]		02.0710
Cerebrovascular Disorders
A spectrum of pathological conditions of impaired blood flow in the brain. They can involve vessels (ARTERIES or VEINS) in the CEREBRUM, the CEREBELLUM, and the BRAIN STEM. Major categories include INTRACRANIAL ARTERIOVENOUS MALFORMATIONS; BRAIN ISCHEMIA; CEREBRAL HEMORRHAGE; and others.		02.0710
Stroke
A group of pathological conditions characterized by sudden, non-convulsive loss of neurological function due to BRAIN ISCHEMIA or INTRACRANIAL HEMORRHAGES. Stroke is classified by the type of tissue NECROSIS, such as the anatomic location, vasculature involved, etiology, age of the affected individual, and hemorrhagic vs. non-hemorrhagic nature. (From Adams et al., Principles of Neurology, 6th ed, pp777-810)		02.0710
Sterility, Male
[description not available]		02.0110
Infertility, Male
The inability of the male to effect FERTILIZATION of an OVUM after a specified period of unprotected intercourse. Male sterility is permanent infertility.		02.0110
Bile Duct Cancer
[description not available]		02.0310
Cholangioma
[description not available]		02.0310
Bile Duct Neoplasms
Tumors or cancer of the BILE DUCTS.		02.0310
Adenoma, Bile Duct
A benign tumor of the intrahepatic bile ducts.		02.0310
Condition, Preneoplastic
[description not available]		02.6930
Precancerous Conditions
Pathological conditions that tend eventually to become malignant.		02.6930
Academic Disorder, Developmental
[description not available]		02.0410
Learning Disabilities
Conditions characterized by a significant discrepancy between an individual's perceived level of intellect and their ability to acquire new language and other cognitive skills. These may result from organic or psychological conditions. Relatively common subtypes include DYSLEXIA, DYSCALCULIA, and DYSGRAPHIA.		02.0410
Cell Transformation, Neoplastic
Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.		02.0410
Lipidoses
Conditions characterized by abnormal lipid deposition due to disturbance in lipid metabolism, such as hereditary diseases involving lysosomal enzymes required for lipid breakdown. They are classified either by the enzyme defect or by the type of lipid involved.		01.9610
Lymphocytopenia
[description not available]		06.9610
Lymphopenia
Reduction in the number of lymphocytes.		01.9610
Fetal Resorption
The disintegration and assimilation of the dead FETUS in the UTERUS at any stage after the completion of organogenesis which, in humans, is after the 9th week of GESTATION. It does not include embryo resorption (see EMBRYO LOSS).		01.9610
Porphyria
[description not available]		01.9510
Porphyrias
A diverse group of metabolic diseases characterized by errors in the biosynthetic pathway of HEME in the LIVER, the BONE MARROW, or both. They are classified by the deficiency of specific enzymes, the tissue site of enzyme defect, or the clinical features that include neurological (acute) or cutaneous (skin lesions). Porphyrias can be hereditary or acquired as a result of toxicity to the hepatic or erythropoietic marrow tissues.		01.9510
Bleeding
[description not available]		01.9810
Rodent Diseases
Diseases of rodents of the order RODENTIA. This term includes diseases of Sciuridae (squirrels), Geomyidae (gophers), Heteromyidae (pouched mice), Castoridae (beavers), Cricetidae (rats and mice), Muridae (Old World rats and mice), Erethizontidae (porcupines), and Caviidae (guinea pigs).		01.9810
Hemorrhage
Bleeding or escape of blood from a vessel.		01.9810
Blastocyst Disintegration
[description not available]		01.9810
Eye Abnormalities
Congenital absence of or defects in structures of the eye; may also be hereditary.		01.9910
Abnormalities, Drug-Induced
Congenital abnormalities caused by medicinal substances or drugs of abuse given to or taken by the mother, or to which she is inadvertently exposed during the manufacture of such substances. The concept excludes abnormalities resulting from exposure to non-medicinal chemicals in the environment.		02.3920
Chemical Sensitivities, Multiple
[description not available]		02.0110
Deficiency, Vitamin K
[description not available]		01.9810
Vitamin K Deficiency
A nutritional condition produced by a deficiency of VITAMIN K in the diet, characterized by an increased tendency to hemorrhage (HEMORRHAGIC DISORDERS). Such bleeding episodes may be particularly severe in newborn infants. (From Cecil Textbook of Medicine, 19th ed, p1182)		01.9810
Cleft Palate, Isolated
[description not available]		02.3820
Hydronephrosis
Abnormal enlargement or swelling of a KIDNEY due to dilation of the KIDNEY CALICES and the KIDNEY PELVIS. It is often associated with obstruction of the URETER or chronic kidney diseases that prevents normal drainage of urine into the URINARY BLADDER.		01.9810
Cleft Palate
Congenital fissure of the soft and/or hard palate, due to faulty fusion.		02.3820