metalaxyl profile

Metalaxyl is a fungicide used to control a range of fungal diseases in a variety of crops, including potatoes, tomatoes, and grapes. It is a systemic fungicide, meaning that it is absorbed by the plant and transported throughout its tissues. Metalaxyl is effective against a wide range of fungal pathogens, including Phytophthora infestans, which causes late blight in potatoes and tomatoes, and Plasmopara viticola, which causes downy mildew in grapes. It is also used to control diseases caused by other fungi, such as Pythium spp., Rhizoctonia solani, and Sclerotinia sclerotiorum.

Metalaxyl is typically applied as a foliar spray, but it can also be applied as a seed treatment or a soil drench. It is available in a variety of formulations, including liquid concentrates, granules, and dusts.

Metalaxyl is synthesized by a multi-step process that involves the reaction of 2,6-dimethyl-4-chloroaniline with 2-chloro-N-(2,6-dimethylphenyl)acetamide. The resulting product is then treated with methylamine to yield metalaxyl.

Metalaxyl inhibits the growth of fungi by interfering with the synthesis of RNA. This process is essential for fungal growth and development. By inhibiting RNA synthesis, metalaxyl prevents the fungus from producing the proteins it needs to survive.

The use of metalaxyl has been associated with the development of resistance in some fungal pathogens. Resistance to metalaxyl has been reported in Phytophthora infestans and other fungi. This resistance is due to mutations in the fungal genes that code for the target site of metalaxyl. To minimize the development of resistance, it is important to use metalaxyl in a responsible manner. This includes using it only when necessary, rotating with other fungicides, and avoiding repeated applications on the same crop.

Metalaxyl is an important fungicide that is used to control a variety of fungal diseases in crops. However, it is important to use it responsibly to minimize the development of resistance. Metalaxyl is studied to understand its mechanism of action, to develop new fungicides that are more effective and less likely to cause resistance, and to assess its environmental impact.'

metalaxyl: RN given refers to (DL-Ala)-isomer [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

metalaxyl : A racemate comprising equal amounts of (R)- and (S)-metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops. [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]

methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate : An alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group. [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]

ID Source	ID
PubMed CID	42586
CHEMBL ID	105809
CHEBI ID	82790
SCHEMBL ID	20990
MeSH ID	M0090944

Synonym
AC-12681
hsdb 7061
apron sd 35
jiashuangling
ridomil 72wp
brn 2947777
metalaxil
subdue 2e
n-(2,6-dimethylphenyl)-n-(methoxyacetyl)-alanine methyl ester
subdue 5sp
cg 117
epa pesticide chemical code 113501
cga 48988
einecs 260-979-7
ridomil vino
caswell no. 375aa
apron 2e
alanine, n-(methoxyacetyl)-n-(2,6-xylyl)-, methyl ester, dl-
metanaxin
ridomil 2e
methyl n-(2,6-dimethylphenyl)-n-(methoxyacetyl)-dl-alaninate
metaxanin
apron fl
apron
allegiance
ipo-fs
d,l-n-(2,6-dimethylphenyl)-n-(2'-methoxyacetyl)alaninate de methyle [french]
metasyl
subdue
methyl n-(2-methoxyacetyl)-n-(2,6-xylyl)-dl-alaninate
(+-)-metalaxyl
metalaxyl [ansi:bsi:iso]
dl-alanine, n-(2,6-dimethylphenyl)-n-(methoxyacetyl)-, methyl ester
ridomil
57837-19-1
metalaxyl
metalaxyl, analytical standard
NCGC00163754-02
NCGC00163754-01
methyl 2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoate
NCGC00163754-03
CHEMBL105809
chebi:82790 ,
methyl 2-(n-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
inchi=1/c15h21no4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12h,9h2,1-5h3
zqeixnijlikntd-uhfffaoysa-
methyl 2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoate
2-(n-(2-methoxy-1-oxoethyl)-2,6-dimethylanilino)propanoic acid methyl ester
methyl 2-[(2,6-dimethylphenyl)-(2-methoxyethanoyl)amino]propanoate
A831631
NCGC00163754-05
NCGC00163754-04
NCGC00163754-06
tox21_300790
dtxcid704175
dtxsid6024175 ,
tox21_112070
cas-57837-19-1
NCGC00254694-01
NCGC00259610-01
tox21_202061
AKOS005203481
ccris 9320
16k4m187if ,
unii-16k4m187if
alanine, n-(2,6-dimethylphenyl)-n-(methoxyacetyl)-, methyl ester
d,l-n-(2,6-dimethylphenyl)-n-(2'-methoxyacetyl)alaninate de methyle
(+/-)-metalaxyl
n-(2,6-dimethylphenyl)-n-(methoxyacetyl)-dl-alanine methyl ester
FT-0630703
methyl 2-(n-(2,6-dimethylphenyl)-2-methoxyacetamido)propanoate
metalaxyl [iso]
metalaxyl, (+/-)-
metalaxyl [mi]
alanine, n-(2,6-dimethylphenyl)-n-(2-methoxyacetyl)-, methyl ester
cga-48988
SCHEMBL20990
tox21_112070_1
methyl n-(2,6-dimethylphenyl)-n-(methoxyacetyl)alaninate
methyl n-(methoxyacetyl)-n-(2,6-xylyl)-dl-alaninate
W-105438
(.+/-.)-metalaxyl
metalaxyl, pestanal(r), analytical standard
metalaxyl 10 microg/ml in acetonitrile
metalaxyl 10 microg/ml in cyclohexane
metalaxyl 100 microg/ml in toluene
metalaxyl, certified reference material, tracecert(r)
M3382
Q4778002
l-metalaxyl
mfcd00055447
AS-15286
metalaxyl 1000 microg/ml in toluene
AMY22455
methyl (2s)-2-(n-(2-deuterio-2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CS-0012857
methyl n-(2,6-dimethylphenyl)-n-(2-methoxyacetyl)alaninate
C75714
HY-B0843
cga48988
SY102996
methyl 2-[n-(2,6-dimethylphenyl)-2-methoxyacetamido]propanoate

Excerpt	Reference	Relevance
"Metalaxyl is a broad-spectrum chiral fungicide that used for the protection of plants, however extensive use of metalaxyl resulted in serious environmental problems. "	( Differential responses of two cyanobacterial species to R-metalaxyl toxicity: Growth, photosynthesis and antioxidant analyses. AbdElgawad, H; Hamed, SM; Hassan, SH; Hozzein, WN; Mohany, M; Selim, S; Wadaan, MAM, 2020)	2.25
"Metalaxyl is a phenylamide fungicide, introduced for oomycete management in the 1970s. "	( Analysis of RPA190 revealed multiple positively selected mutations associated with metalaxyl resistance in Phytophthora infestans. Chen, F; Li, DL; Schnabel, G; Xi, J; Zhan, J; Zhou, Q, 2018)	2.15
"Metalaxyl is an important chiral acetanilide fungicide, and the activity almost entirely originates from the R-enantiomer. "	( Enantioselective Degradation and Chiral Stability of Metalaxyl-M in Tomato Fruits. Jing, X; Liu, D; Qi, Y; Wang, P; Yao, G; Zhou, Z, 2016)	2.13
"Metalaxyl is a chiral compound and important fungicide."	( Enantioselective degradation of metalaxyl in anaerobic activated sewage sludge. Chen, S; Liu, W, 2009)	1.36
"Metalaxyl is a fungicide that protects potato plants from Phytophthora infestans."	( Effect of Acinetobacter sp on metalaxyl degradation and metabolite profile of potato seedlings (Solanum tuberosum L.) alpha variety. Aldana-Madrid, ML; Contreras-Cortés, AG; Gaikwad, NW; Hengel, MJ; Miller, MG; Tolstikov, V; Zuno-Floriano, FG, 2012)	1.39
"Metalaxyl is an acylamine fungicide, belonging to the most widely known member of the amide group. "	( Chiral recognition of metalaxyl enantiomers by human serum albumin: evidence from molecular modeling and photophysical approach. Diao, JX; Ding, F; Li, XN; Sun, Y; Zhang, L, 2012)	2.14
"Metalaxyl is a systemic fungicide used to control plant diseases caused by Oomycete fungi. "	( Metalaxyl: persistence, degradation, metabolism, and analytical methods. Spiteller, M; Sukul, P, 2000)	3.19

Excerpt	Reference	Relevance
"Metalaxyl-M also has a serious influence on the activities of antioxidant enzymes, which results in irreversible oxidative damage in cells."	( The cytotoxic and genotoxic effects of metalaxy-M on earthworms (Eisenia fetida). Han, Y; Liu, T; Wang, J; Zhao, Y; Zhu, L, 2014)	1.12
"Metalaxyl-M also has a serious influence on the activities of antioxidant enzymes, which results in irreversible oxidative damage in cells."	( The cytotoxic and genotoxic effects of metalaxy-M on earthworms (Eisenia fetida). Han, Y; Liu, T; Wang, J; Zhao, Y; Zhu, L, 2014)	1.12
"Metalaxyl has both curative and systemic properties."	( Metalaxyl: persistence, degradation, metabolism, and analytical methods. Spiteller, M; Sukul, P, 2000)	2.47

Excerpt	Reference	Relevance
" A comparison of the MERA with the conventional isobologram and the extended toxic unit summation revealed that the MERA characterizes the degree of toxicity interaction in the view of effect, with less limitation by different concentration ratios or effect levels."	( [Characterizing the toxicity interaction of the binary mixture between DMSO and pesticide by the multi-effect residual analysis (MERA)]. Huo, XC; Liu, SS; Zhang, J, 2013)	0.39
"Enantiomers of chiral compounds often exhibit enantioselective adverse effects and biochemical processes in non-target organisms."	( Enantioselective metabolism and toxic effects of metalaxyl on primary hepatocytes from rat. Qiu, J; Wang, X; Wang, Y; Zhang, P; Zhou, Z; Zhu, W, 2016)	0.69
" Meanwhile, the toxic effects were also evaluated by comparing the different influences of these two compounds on related physiological indicators, and functional enzyme activities."	( The different toxic effects of metalaxyl and metalaxyl-M on Tubifex tubifex. Guo, HM; Liu, X; Lu, ZH; OuYang, MN; Yang, ZH; Zhou, DD, 2021)	0.91
"Pesticides have adverse effects on the cellular functionality, which may trigger myriad of health consequences."	( Cytotoxicity and genotoxicity of methomyl, carbaryl, metalaxyl, and pendimethalin in human umbilical vein endothelial cells. Al-Khedhairy, AA; Alwathnani, HA; Ansari, SM; Musarrat, J; Saquib, Q; Siddiqui, MA, 2021)	0.87
" In view of the adverse toxic effects of both on the mammalian liver, it is necessary to conduct a cumulative risk assessment of their dietary exposure to consumers."	( Dissipation and Residue of Metalaxyl-M and Azoxystrobin in Scallions and Cumulative Risk Assessment of Dietary Exposure to Hepatotoxicity. Chai, Y; Du, X; Liu, R; Yuan, L, 2022)	1.02

Excerpt	Reference	Relevance
" Pine and oak wood increase the immobilization of the pesticides studied, but they also limit their bioavailability in soil by decreasing their degradation rate in amended soil."	( Influence of pine or oak wood on the degradation of alachlor and metalaxyl in soil. Azejjel, H; Marín-Benito, JM; Ordax, JM; Rodríguez-Cruz, MS; Sánchez-Martín, MJ, 2012)	0.62
"Knowledge about the enantioselective bioavailability of chiral pesticides in soil invertebrates facilitates more accurate interpretation of their environmental behaviors."	( Enantioselective bioaccumulation and toxic effects of metalaxyl in earthworm Eisenia foetida. Diao, J; Liu, D; Xu, P; Zhou, Z, 2011)	0.62
"Knowledge about the enantioselective bioavailability of chiral pesticides in aquatic organisms facilitates more accurate interpretation of their environmental behaviors."	( Enantioselective bioaccumulation and degradation of sediment-associated metalaxyl enantiomers in Tubifex tubifex. Di, S; Diao, J; Liu, T; Zhou, Z, 2013)	0.62
" Our findings show that addition of BC affected the final enantioselective behavior of metalaxyl in soil indirectly by reducing its bioavailability through sorption, and to a greater extent than OMWc."	( Environmental fate of the fungicide metalaxyl in soil amended with composted olive-mill waste and its biochar: An enantioselective study. Celis, R; Cox, L; Gámiz, B; Hermosín, MC; Pignatello, JJ, 2016)	0.93
" The enhanced sorption in HT-ELA-amended soils reduced the bioavailability of metalaxyl enantiomers and their leaching in the soils, mitigating the particularly high leaching potential of the more persistent S enantiomer."	( Evaluation of an organo-layered double hydroxide and two organic residues as amendments to immobilize metalaxyl enantiomers in soils: A comparative study. Celis, R; Cornejo, J; López-Cabeza, R, 2016)	0.88
" Adding these materials to soil requires understanding the process of pesticide sorption-desorption by wood-soils, as sorption capacity could increase, with changes in pesticide bioavailability and final fate."	( Study of processes influencing bioavailability of pesticides in wood-soil systems: Effect of different factors. Arienzo, M; Herrero-Hernández, E; Marín-Benito, JM; Rodríguez-Cruz, MS; Sánchez-Martín, MJ, 2017)	0.46
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51
" The reduced uptake was mainly attributed to the decreased bioavailability of R-MET and S-MET."	( Biochar decreased enantioselective uptake of chiral pesticide metalaxyl by lettuce and shifted bacterial community in agricultural soil. Fang, S; Li, F; Li, Y; Suo, F; Wang, X; Yin, S; You, X; Zhang, C; Zheng, H, 2021)	0.86

Excerpt	Relevance	Reference
", 500, 250, and 50 micrograms/ml, in the presence of bioactivation, and at the highest dosage (500 micrograms/ml) in the absence of bioactivation."	( In vitro transforming effect of the fungicides metalaxyl and zineb. Bonora, B; Colacci, A; Grilli, S; Perocco, P, 1995)	0.55
" water speed and volume (both variables determining flow boundary stress in the shear device), formulation dosage and drying temperature, was set up to monitor colloid detachment."	( Detachment of sprayed colloidal copper oxychloride-metalaxyl fungicides by a shallow water flow. López-Periago, JE; Paradelo-Pérez, M; Pose-Juan, E; Rial-Otero, R; Simal-Gándara, J, 2009)	0.6
" Average losses for metalaxyl and copper oxychloride were, respectively, 29 and 50% of the quantity applied at the usual recommended dosage for crops."	( Detachment of sprayed colloidal copper oxychloride-metalaxyl fungicides by a shallow water flow. López-Periago, JE; Paradelo-Pérez, M; Pose-Juan, E; Rial-Otero, R; Simal-Gándara, J, 2009)	0.93
" At harvest, pepper samples were found to contain metalaxyl and cymoxanil well below the maximum residue limit MRLs of the European Union (EU) following the recommended dosage and the interval of 21 days after last application."	( Dissipation and residue of metalaxyl and cymoxanil in pepper and soil. Cui, Y; Hu, D; Li, X; Li, Z; Liu, X; Yang, Y; Zhang, K; Zhu, H, 2014)	0.95
" A significant dose-response effect between (R, S)-benalaxyl and global methylation level was observed."	( Acylamino acid chiral fungicides on toxiciepigenetics in lambda DNA methylation. Chang, J; Guo, B; Hao, W; Wang, H; Xu, Q; Yin, J; Zhu, F, 2017)	0.46

Class	Description
alanine derivative	An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of alanine by a heteroatom. The definition normally excludes peptides containing alanine residues.
aromatic amide	An amide in which the amide linkage is bonded directly to an aromatic system.
carboxamide	An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom.
ether	An organooxygen compound with formula ROR, where R is not hydrogen.
methyl ester	Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	0.4216	0.0060	38.0041	19,952.5996	AID1159521
TDP1 protein	Homo sapiens (human)	Potency	29.8554	0.0008	11.3822	44.6684	AID686978
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	61.0063	0.0010	22.6508	76.6163	AID1224839
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	7.9433	0.0123	7.9835	43.2770	AID1346984
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	0.0014	0.0030	41.6115	22,387.1992	AID1159553
pregnane X nuclear receptor	Homo sapiens (human)	Potency	24.5459	0.0054	28.0263	1,258.9301	AID1346982; AID1346985; AID720659
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	48.2936	0.0002	29.3054	16,493.5996	AID743075; AID743079
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	70.4772	0.0003	23.4451	159.6830	AID743065
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	21.6458	0.0006	27.2152	1,122.0200	AID743219
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (80)

Assay ID	Title	Year	Journal	Article
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1082785	Antifungal activity against Phytophthora sojae race 1 in germinated soybean seeds assessed as lesion length at 20 mg/L after 48 hr compound at 25% WP (untreated control = 3.34 +/- 0.64 cm)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1112271	Fungicidal activity against Neofusicoccum australe Kat-1 assessed as mycelial growth inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1112261	Fungicidal activity against Neofusicoccum australe Mel-2 assessed as conidial germination inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1112255	Fungicidal activity against Diplodia mutila F (12)2 assessed as conidial germination inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1082765	Antifungal activity against Phytophthora sojae race 3 assessed as growth inhibition at 28 degC after 7 days (beneficial crop soybean)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1082764	Antifungal activity against Phytophthora sojae race 1 assessed as growth inhibition at 28 degC after 7 days (beneficial crop soybean)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1082787	Antifungal activity against Phytophthora sojae race 1 in germinated soybean seeds assessed as disease control efficacy at 4 mg/L after 48 hr compound at 25% WP relative to control	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1112258	Fungicidal activity against Neofusicoccum luteum M (13)8 assessed as conidial germination inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1082782	Antifungal activity against Phytophthora sojae race 1 in germinated soybean seeds assessed as root length at 20 mg/L after 48 hr compound at 25% WP (untreated control = 4.15 +/- 0.71 cm)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1082784	Antifungal activity against Phytophthora sojae race 1 in germinated soybean seeds assessed as lesion length at 4 mg/L after 48 hr compound at 25% WP (untreated control = 3.34 +/- 0.64 cm)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1112263	Fungicidal activity against Diplodia mutila Q assessed as mycelial growth inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1090386	Antifungal activity against Athelia rolfsii in tomato plants grown on fungal infested soil assessed as healthy tomato plants stands at 1.46 mL ai/150 cm3 of soil measured 35 days after transplanting	2006	Journal of agricultural and food chemistry, Mar-22, Volume: 54, Issue:6	Antifungal activity of 4-methyl-6-alkyl-2H-pyran-2-ones.
AID1090402	Antioomycete activity against Phytophthora capsici zoospores suspension infected in pepper plants (cv. Hanbyul) at first branch stage pre-exposed to compound spray on stems before fungal infection assessed as reduction in Phyophthora blight disease severi	2006	Journal of agricultural and food chemistry, Apr-19, Volume: 54, Issue:8	Isolation and antifungal and antioomycete activities of staurosporine from Streptomyces roseoflavus strain LS-A24.
AID1112262	Fungicidal activity against Neofusicoccum australe Kat-1 assessed as conidial germination inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1082770	Antifungal activity against Phytophthora sojae race 44 assessed as growth inhibition at 28 degC after 7 days (beneficial crop soybean)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1112257	Fungicidal activity against Neofusicoccum luteum N(12)2 assessed as conidial germination inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1082771	Antifungal activity against Phytophthora sojae race 54 assessed as growth inhibition at 28 degC after 7 days (beneficial crop soybean)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1082783	Antifungal activity against Phytophthora sojae race 1 in germinated soybean seeds assessed as root length at 40 mg/L after 48 hr compound at 25% WP (untreated control = 4.15 +/- 0.71 cm)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1112264	Fungicidal activity against Diplodia mutila Iso-2 assessed as mycelial growth inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1090387	Antifungal activity against Athelia rolfsii in tomato plants grown on fungal infested soil assessed as healthy tomato plants stands at 0.728 mL ai/150 cm3 of soil measured 35 days after transplanting	2006	Journal of agricultural and food chemistry, Mar-22, Volume: 54, Issue:6	Antifungal activity of 4-methyl-6-alkyl-2H-pyran-2-ones.
AID1112269	Fungicidal activity against Neofusicoccum australe J-3 assessed as mycelial growth inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1082767	Antifungal activity against Phytophthora sojae race 5 assessed as growth inhibition at 28 degC after 7 days (beneficial crop soybean)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1102164	Fungicidal activity against Pythium ultimum	2003	Journal of agricultural and food chemistry, Feb-12, Volume: 51, Issue:4	Chemical composition, plant genetic differences, and antifungal activity of the essential oil of Helichrysum italicum G. Don ssp. microphyllum (Willd) Nym.
AID1090403	Antioomycete activity against Phytophthora capsici zoospores suspension infected in pepper plants (cv. Hanbyul) at first branch stage pre-exposed to compound spray on stems before fungal infection assessed as reduction in Phyophthora blight disease severi	2006	Journal of agricultural and food chemistry, Apr-19, Volume: 54, Issue:8	Isolation and antifungal and antioomycete activities of staurosporine from Streptomyces roseoflavus strain LS-A24.
AID1082769	Antifungal activity against Phytophthora sojae race 13 assessed as growth inhibition at 28 degC after 7 days (beneficial crop soybean)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1112270	Fungicidal activity against Neofusicoccum australe Mel-2 assessed as mycelial growth inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1112259	Fungicidal activity against Neofusicoccum luteum G(s)-1 assessed as conidial germination inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1102159	Fungicidal activity against Phytophthora capsici	2003	Journal of agricultural and food chemistry, Feb-12, Volume: 51, Issue:4	Chemical composition, plant genetic differences, and antifungal activity of the essential oil of Helichrysum italicum G. Don ssp. microphyllum (Willd) Nym.
AID1882200	Antifungal activity against Phytophthora litchii assessed as inhibition of growth rate at 100 mg/L relative to control	2022	European journal of medicinal chemistry, Feb-05, Volume: 229	Natural and synthetic β-carboline as a privileged antifungal scaﬀolds.
AID1112256	Fungicidal activity against Diplodia mutila Iso-2 assessed as conidial germination inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1082766	Antifungal activity against Phytophthora sojae race 4 assessed as growth inhibition at 28 degC after 7 days (beneficial crop soybean)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1082768	Antifungal activity against Phytophthora sojae race 9 assessed as growth inhibition at 28 degC after 7 days (beneficial crop soybean)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1090390	Antifungal activity against Athelia rolfsii in tomato plants grown on fungal infested soil assessed as healthy tomato plants stands at 0.364 mL ai/150 cm3 of soil measured 35 days after transplanting	2006	Journal of agricultural and food chemistry, Mar-22, Volume: 54, Issue:6	Antifungal activity of 4-methyl-6-alkyl-2H-pyran-2-ones.
AID1112267	Fungicidal activity against Neofusicoccum luteum N(12)2 assessed as mycelial growth inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1082788	Antifungal activity against Phytophthora sojae race 1 in germinated soybean seeds assessed as disease control efficacy at 20 mg/L after 48 hr compound at 25% WP relative to control	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1082781	Antifungal activity against Phytophthora sojae race 1 in germinated soybean seeds assessed as root length at 4 mg/L after 48 hr compound at 25% WP (untreated control = 4.15 +/- 0.71 cm)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1112254	Fungicidal activity against Diplodia mutila Q assessed as conidial germination inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1082786	Antifungal activity against Phytophthora sojae race 1 in germinated soybean seeds assessed as lesion length at 40 mg/L after 48 hr compound at 25% WP (untreated control = 3.34 +/- 0.64 cm)	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
AID1100854	Antifungal activity against Phytophthora capsici in pepper plants assessed as decrease in Phytophthora blight disease at 50 ug/ml	2000	Journal of agricultural and food chemistry, May, Volume: 48, Issue:5	Structure elucidation and antifungal activity of an anthracycline antibiotic, daunomycin, isolated from Actinomadura roseola.
AID333792	Antioomycete activity against Phytophthora capsici by microtiter broth dilution assay	2004	Journal of natural products, Dec, Volume: 67, Issue:12	Thiobutacin, a novel antifungal and antioomycete antibiotic from Lechevalieria aerocolonigenes.
AID1112265	Fungicidal activity against Diplodia mutila F (12)2 assessed as mycelial growth inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1100853	Antifungal activity against Phytophthora capsici in pepper plants assessed as decrease in Phytophthora blight disease at 100 ug/ml	2000	Journal of agricultural and food chemistry, May, Volume: 48, Issue:5	Structure elucidation and antifungal activity of an anthracycline antibiotic, daunomycin, isolated from Actinomadura roseola.
AID1112266	Fungicidal activity against Neofusicoccum luteum M (13)8 assessed as mycelial growth inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1112260	Fungicidal activity against Neofusicoccum australe J-3 assessed as conidial germination inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1112268	Fungicidal activity against Neofusicoccum luteum G(s)-1 assessed as mycelial growth inhibition after 48 hr	2012	Pest management science, May, Volume: 68, Issue:5	Evaluation of fungicides for the management of Botryosphaeria dieback diseases of grapevines.
AID1082789	Antifungal activity against Phytophthora sojae race 1 in germinated soybean seeds assessed as disease control efficacy at 40 mg/L after 48 hr compound at 25% WP relative to control	2012	Journal of agricultural and food chemistry, Feb-08, Volume: 60, Issue:5	Antifungal activity of borrelidin produced by a Streptomyces strain isolated from soybean.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	9 (3.70)	18.7374
1990's	13 (5.35)	18.2507
2000's	74 (30.45)	29.6817
2010's	114 (46.91)	24.3611
2020's	33 (13.58)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	3 (1.19%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	249 (98.81%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
ethylene glycol Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water.	2	1	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2.03	1	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	2.07	1	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	2.05	1	halide anion; monoatomic bromine
1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.	2	1	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
carbamates [no description available]	3.67	9	amino-acid anion
methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).	2.17	1	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
hydrochloric acid Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.	2.04	1	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
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.	2.08	1	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
glycine [no description available]	2.06	1	alpha-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
hydrogen cyanide Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.. hydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom	2.07	1	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	2.1	1	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
indoleacetic acid indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group.	2.07	1	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	2	1	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	2.72	3	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
1-octanol 1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1.	7.06	1	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
1-propanol 1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group.	2	1	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	2	1	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.	2.02	1	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
acetochlor acetochlor : A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively.	3.1	1	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
alachlor alachlor : An aromatic amide that is N-(2,6-diethylphenyl)acetamide substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom.	4.07	4	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
atrazine [no description available]	2.42	2	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
bentazone bentazone: RN given refers to parent cpd; structure. bentazone : A benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3.	2.97	4	benzothiadiazine	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.	1.98	1	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
bronopol [no description available]	7.41	1	nitro compound
carbofuran Carbofuran: A cholinesterase inhibitor that is used as a systemic insecticide, an acaricide, and nematocide. (From Merck Index, 11th ed)	7.52	2	1-benzofurans; carbamate ester	acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide
chlorpyrifos Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.	3.44	7	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
dichlorvos Dichlorvos: An organophosphorus insecticide that inhibits ACETYLCHOLINESTERASE.. dichlorvos : An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate.	2.08	1	alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide	anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
dimethoate Dimethoate: An organothiophosphorus cholinesterase inhibitor that is used as a systemic and contact insecticide.. dimethoate : A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.	2.52	2	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
diuron Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group.	2.01	1	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
ethion ethion: minor descriptor (73-82); online & Index Medicus search INSECTICIDES, ORGANOTHIOPHOSPHATE (73-82). ethion : An organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7).	2.05	1	organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide
fenvalerate fenvalerate: synthetic pyrethroid; RN given refers to cpd without isomeric designation; structure. fenvalerate : A carboxylic ester obtained by formal condensation between 2-(4-chlorophenyl)-3-methylbutyric acid and cyano(3-phenoxyphenyl)methanol.	2.31	1	aromatic ether; carboxylic ester; monochlorobenzenes	pyrethroid ester acaricide; pyrethroid ester insecticide
flunitrazepam Flunitrazepam: A benzodiazepine with pharmacologic actions similar to those of DIAZEPAM that can cause ANTEROGRADE AMNESIA. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug.. flunitrazepam : A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia.	2.03	1	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluoxetine Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.	2.03	1	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
harmaline Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM.. harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.	3.51	1	harmala alkaloid	oneirogen
harmalol harmalol: inhibitor of rat liver microsomal UDP-glucuronyltransferase; RN given refers to parent cpd; structure. harmalol : A harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond.	3.51	1	harmala alkaloid	algal metabolite; EC 1.4.3.4 (monoamine oxidase) inhibitor
2-propanol 2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.	2.44	2	secondary alcohol; secondary fatty alcohol	protic solvent
methadone Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3). methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction.. 6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.	2.03	1	benzenes; diarylmethane; ketone; tertiary amino compound
methomyl Methomyl: A carbamate insecticide with anticholinesterase activity.. methomyl : A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime.	7.31	1	aliphatic sulfide; carbamate ester	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; nematicide; xenobiotic
metolachlor metolachlor: structure given in first source. metolachlor : A racemate that consists of equimolar amounts of (R)- and (S)-metolachlor.. 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide : An organochlorine compound that is 2-chloroacetamide substituted by a (2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl) group at the nitrogen atom.	3.52	2	aromatic amide; benzenes; ether; organochlorine compound
miconazole Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.. 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.	3.59	2	dichlorobenzene; ether; imidazoles
norfluoxetine norfluoxetine: metabolite of fluoxetine; RN given refers to parent cpd without isomeric designation	2.03	1	(trifluoromethyl)benzenes
potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion.	2.06	1	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
prazosin Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.. prazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.	1.97	1	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
propachlor propachlor: structure. propachlor : An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent.	3.52	2	anilide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
propoxur Propoxur: A carbamate insecticide.. propoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group.	2.08	1	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
simazine Simazine: A triazine herbicide.. simazine : A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.	7	1	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
gatifloxacin Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS.. gatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes.	2.31	1	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
thiabendazole Tresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate	3.51	1	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
triclosan [no description available]	7.05	1	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
phentolamine Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.. phentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension.	2.37	2	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
thymidine [no description available]	1.96	1	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
bromouracil Bromouracil: 5-Bromo-2,4(1H,3H)-pyrimidinedione. Brominated derivative of uracil that acts as an antimetabolite, substituting for thymine in DNA. It is used mainly as an experimental mutagen, but its deoxyriboside (BROMODEOXYURIDINE) is used to treat neoplasms.. 5-bromouracil : A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen.	2.08	1	nucleobase analogue; pyrimidines	mutagen
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	8.38	222	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	7.48	2	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
uridine [no description available]	1.96	1	uridines	drug metabolite; fundamental metabolite; human metabolite
galactose galactopyranose : The pyranose form of galactose.	2.07	1	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
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.	1.96	1	amino 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
carbaryl Carbaryl: A carbamate insecticide and parasiticide. It is a potent anticholinesterase agent belonging to the carbamate group of reversible cholinesterase inhibitors. It has a particularly low toxicity from dermal absorption and is used for control of head lice in some countries.. carbaryl : A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid.	7.59	2	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
phenylalanine Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.	2.07	1	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
acetylene [no description available]	7	1	alkyne; gas molecular entity; terminal acetylenic compound
systhane systhane: structure in first source. 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile : A nitrile that is hexanenitrile substituted at the 2-position by p-chlorophenyl and (1,2,4-triazol-1-yl)methyl groups.	2.59	2	monochlorobenzenes; nitrile; triazoles
acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.	2.76	3	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
isobutyl alcohol isobutyl alcohol: RN given refers to parent cpd	2	1	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite
quintozene quintozene: active ingredient of variety of fungicides. pentachloronitrobenzene : A C-nitro compound that is nitrobenzene in which every hydrogen has been replaced by a chlorine. A fungicide used on a variety of crops, including cotton, rice and seed grains, it is no longer approved for use within the European Union.	2.06	1	aromatic fungicide; C-nitro compound; pentachlorobenzenes	antifungal agrochemical
2,6-xylidine 2,6-xylidine: RN given refers to parent cpd. 2,6-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic).	2	1	dimethylaniline; primary arylamine	carcinogenic agent; drug metabolite
4-butyrolactone 4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.	2.31	1	butan-4-olide	metabolite; neurotoxin
tributylamine tributylamine: RN given refers to parent cpd	2.05	1	tertiary amine
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	2.1	1	alkane
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.	3.36	6	pyrrole; 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.	2.31	1	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
n-hexane hexane : An unbranched alkane containing six carbon atoms.	2.1	1	alkane; volatile organic compound	neurotoxin; non-polar solvent
captan Captan: One of the phthalimide fungicides.. captan : A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops.	2.99	4	isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide	antifungal agrochemical
folpet folpet : A member of the class of phthalimides that is phthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethylthio group. An agricultural fungicide, it has been used to control mildew, leaf spot, and other diseases in crops sice the 1950s.	7.44	2	organochlorine compound; organosulfur compound; phthalimide fungicide	antifungal agrochemical
yohimbine Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.. yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.	1.97	1	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	2.31	1	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	2.91	4	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	3.47	7	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
bromacil bromacil: RN given refers to parent cpd; structure. bromacil : A racemate consisting of equimolar concentrations of (R)- and (S)-bromacil.. 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione : A pyrimidone that is pyrimidine-2,4(1H,3H)-dione substituted by a bromo group at position 5, a butan-2-yl group at position 3 and a methyl group at position 6.	2.08	1	organobromine compound; pyrimidone
linuron Linuron: A selective pre- and post-emergence herbicide. (From Merck Index, 11th ed). linuron : A member of the class of phenylureas that is N-methyl urea substituted by a methoxy group at position 1 and a 3,4-dichlorophenyl group at position 3.	3.56	8	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
aminoimidazole carboxamide Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.. 5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4.	2.71	3	aminoimidazole; monocarboxylic acid amide	mouse metabolite
hydantoins Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4.	2.71	3	imidazolidine-2,4-dione
thiazolidines Thiazolidines: Reduced (protonated) form of THIAZOLES. They can be oxidized to THIAZOLIDINEDIONES.	2.05	1	thiazolidine
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.	2.17	1	dialdehyde	biomarker
ametryne ametryne: minor descriptor (72-83); on-line & Index Medicus search HERBICIDES, TRIAZINE (75-83) & HERBICIDES (72-74) & TRIAZINES (72-74); RN given refers to unlabeled cpd; structure. ametryn : A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by an ethylamino and an isopropylamino group at positions 4 and 6 respectively.	2.11	1	diamino-1,3,5-triazine; methylthio-1,3,5-triazine	environmental contaminant; herbicide
simetryn simetryn : A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a methylthio group at position 6.	2.08	1	diamino-1,3,5-triazine; methylthio-1,3,5-triazine	herbicide
dichlofluanid dichlofluanid: structure. dichlofluanid : A member of the class of sulfamides that is sulfamide in which the hydrogens attached to one of the nitrogens are replaced by methyl groups, while those attached to the other nitrogen are replaced by a phenyl and a [dichloro(fluoro)methyl]sulfanediyl group. A fungicide introduced in 1965 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union.	7.05	1	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	acaricide; antifungal agrochemical
sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)	2.04	1	alkali metal hydroxide
zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.	2.25	1	zinc molecular entity
dihexadecyldimethylammonium chloride dihexadecyldimethylammonium: RN given refers to chloride	2.04	1
tetrachloroisophthalonitrile tetrachloroisophthalonitrile: structure. chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.	4.45	6	aromatic fungicide; dinitrile; tetrachlorobenzene	antifungal agrochemical
captafol captafol: RN given refers to cpd with specified chlorine locants. captafol : A dicarboximide that captan in which the trichloromethyl group is replaced by a 1,1,2,2-tetrachloroethyl group. A broad-spectrum fungicide used to control diseases in fruit and potatoes, it is no longer approved for use in the European Community.	2	1	isoindoles; organochlorine compound; organosulfur compound; phthalimide fungicide	antifungal agrochemical
dodine dodine: RN given refers to parent cpd; structure. 1-dodecylguanidine acetate : An acetate salt resulting from the reaction of equimolar amounts of 1-dodecylguanidine and acetic acid. It is used as a fungicide to control black spot and foliar diseases on apples, pears, peaches, nectarines and strawberries.	2.08	1	acetate salt; aliphatic nitrogen antifungal agent	antibacterial agent; antifungal agrochemical
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.	2.68	3	aromatic fungicide; dichlorobenzene; dimethoxybenzene	antifungal agrochemical
2,2-bis(bromomethyl)-1,3-propanediol 2,2-bis(bromomethyl)-1,3-propanediol: structure given in first source	2.13	1	primary alcohol
dithianone dithianone: structure. dithianon : A naphthodithiin that is 5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin which is substituted by nitrile groups at positions 2 and 3. It is a broad spectrum fungicide used to control scab, downy mildew, rust, and leaf spot in the commercial growing of grapes and other fruit, citrus, coffee, and vegetables.	2.07	1	dinitrile; naphthodithiin; p-quinones	antifungal agrochemical
carboxin Carboxin: A systemic agricultural fungicide and seed treatment agent.. carboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment.	2.11	1	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
terbutylazine terbutylazine : A diamino-1,3,5-triazine that is N-tert-butyl-N'-methyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.	2.01	1	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	2.61	2	titanium group element atom
cupric chloride cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state.	2.05	1	copper molecular entity; inorganic chloride	EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
sodium nitrate sodium nitrate : The inorganic nitrate salt of sodium.	2	1	inorganic nitrate salt; inorganic sodium salt	fertilizer; NMR chemical shift reference compound
copper sulfate Copper Sulfate: A sulfate salt of copper. It is a potent emetic and is used as an antidote for poisoning by phosphorus. It also can be used to prevent the growth of algae.. copper(II) sulfate : A metal sulfate compound having copper(2+) as the metal ion.	7.41	1	metal sulfate	emetic; fertilizer; sensitiser
potassium sulfate potassium sulfate: RN given refers to cpd with MF of K2-H2SO4	2	1	inorganic potassium salt; potassium salt
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	3.1	1	diatomic chlorine; gas molecular entity	bleaching agent
ferric sulfate ferric sulfate: RN given refers to Fe(+3)[3:2] salt). iron(3+) sulfate : A compound of iron and sulfate in which the ratio of iron(3+) to sulfate ions is 3:2.	2.17	1	iron molecular entity; metal sulfate	astringent; catalyst; mordant
aluminum sulfate aluminium sulfate (anhydrous) : An aluminium sulfate that contains no water of crystallisation.	2.17	1	aluminium sulfate
carbendazim carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables.	9.66	8	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
ammonium chloride Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion.	2	1	ammonium salt; inorganic chloride	ferroptosis inhibitor
kitazine kitazine: see also record for kitazin P; structure given in first source	2.06	1
titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.	2.61	2	titanium oxides	food colouring
devrinol devrinol: structure. napropamide : A racemate composed of equimolar amounts of (S)- and (R)-napropamide.. N,N-diethyl-2-(naphthalen-1-yloxy)propanamide : A monocarboxylic acid amide that is propanamide substituted by two ethyl groups at the nitrogen atom and a naphthalen-1-yloxy group at position 2.	2.31	1	aromatic ether; monocarboxylic acid amide; naphthalenes
benomyl [no description available]	2.01	1	aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator
metribuzin metribuzin : A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3.	2.06	1	1,2,4-triazines; cyclic ketone; organic sulfide	agrochemical; environmental contaminant; herbicide; xenobiotic
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	2.05	1	benzenes; phenyl acetates
pirimicarb pirimicarb: structure. pirimicarb : An aminopyrimidine that is N,N,4,5-tetramethylpyrimidin-2-amine substituted by a (dimethylcarbamoyl)oxy group at position 4.	2.13	1	aminopyrimidine; carbamate ester; tertiary amino compound	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
butachlor butachlor : An aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group.	3.1	1	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
propamocarb propamocarb: RN given refers to parent cpd. propamocarb : A carbamate ester that is the propyl ester of 3-(dimethylamino)propylcarbamic acid. It is a systemic fungicide, used (normally as the hydrochloride salt) for the control of soil, root and leaf diseases caused by oomycetes, particularly Phytophthora and Pythium species.	2.07	1	carbamate ester; carbamate fungicide; tertiary amino compound	antifungal agrochemical; environmental contaminant; xenobiotic
triforine triforine: structure. triforine : A member of the class of N-alkylpiperazines in which the two amino groups of piperazine are replaced by 1-formamido-2,2,2-trichloroethyl groups. A fungicide active against a range of diseases including powdery mildew, scab and rust.	2.07	1	amide fungicide; formamides; N-alkylpiperazine; organochlorine compound	allergen; antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
procymidone procymidone : An azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases.	2.43	2
isopropalin isopropalin: structure	2.03	1	C-nitro compound
isoproturon isoproturon : A member of the class of phenylureas that is 1,1-dimethylurea substituted by a p-cumenyl group at position 3. A selective, systemic herbicide used to control annual grasses and broadleaf weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.	8.15	5	3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; xenobiotic
iprodione iprodione : An imidazolidine-2,4-dione in which the nitrogen at position 1 is substituted by an N-(isopropyl)carboxamide group while that at position 3 is substituted by a 3,5-dichlorophenyl group. A contact fungicide, it blocks the growth of the fungal mycelium and inhibits the germination of fungal spores. It is used on fruit and vegetable crops affected by various fungal diseases. It is also used as a nematicide.	2.94	4	benzenes; dichlorophenyl dicarboximide fungicide; imidazole fungicide; imidazolidine-2,4-dione; ureas	antifungal agrochemical; nematicide
pendimethalin pendimethalin : A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds.	2.78	3	C-nitro compound; secondary amino compound; substituted aniline	agrochemical; environmental contaminant; herbicide
metamitron metamitron : A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, a methyl group at position 3 and a phenyl group at position 6.	2.46	2	1,2,4-triazines	environmental contaminant; herbicide; xenobiotic
tricyclazole tricyclazole: RN given refers to parent cpd. tricyclazole : A triazolobenzothiazole that is [1,2,4]triazolo[3,4-b][1,3]benzothiazole which is substituted at position 5 by a methyl group. A fungicide used for the control of rice blast, it is not approved for use within the European Union.	2.43	2	triazolobenzothiazole	antifungal agrochemical; melanin synthesis inhibitor
vinclozolin vinclozolin : A racemate comprising equimolar amounts of (R)- and (S)-vinclozolin. A fungicide used mainly on oilseed rape, vines, fruit and vegetables to control Botrytis, Sclerotinia and Monilia spp.. 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione : A member of the class of oxazolidinones that is 5-ethenyl-5-methyl-2,4-oxazolidinedione in which the imide hydrogen is replaced by a 3,5-dichlorophenyl group.	7.69	3	dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone
hexazinone hexazinone: RN given refers to parent cpd; structure in first source	2.08	1	1,3,5-triazines
furalaxyl furalaxyl: Industrial Fungicide; structure in first source. furalaxyl : A racemate comprising equal amounts of (R)- and (S)-furalaxyl. A systemic fungicide with protective and curative properties. It is effective against damping-off and root rot diseases caused by Pythium and Phytophthora fungi which inhabit the soil and infect many ornamental flowers, shrubs and trees.. methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate : An alanine derivative that is the N-furoyl derivative of methyl N-(2,6-dimethylphenyl)alaninate	7.52	2	alanine derivative; aromatic amide; carboxamide; furans; methyl ester
fenarimol fenarimol : A racemate comprising equimolar amounts of (R)- and (S)-fenarimol. A sterol demethylation inhibitor, it is used as a fungicide for the treatment of blackspot, mildew and rust in tomatoes, peppers and melons, but is not approved for use within the European Union.. (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol : A member of the class of pyrimidines that is pyrimidin-5-ylmethanol in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 2-chlorophenyl group while the other is replaced by a 4-chlorophenyl group.	7.43	2	monochlorobenzenes; pyrimidines; tertiary alcohol
propiconazole Orbit: Bony cavity that holds the eyeball and its associated tissues and appendages.	1.99	1	conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
staurosporine [no description available]	2.03	1	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
fluazifop-butyl fluazifop-butyl: RN given for cpd without isomeric designation. fluazifop-butyl : A racemate that is the butyl ester of fluazifop. It is used as a post-emergence herbicide for the control grass weeds in various broad-leaved crops.. butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate : A carboxylic ester resulting from the formal condensation of the carboxy group 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of butan-1-ol.	2.08	1	aromatic ether; carboxylic ester; organofluorine compound; pyridines
benalaxyl benalaxyl: RN given refers to (DL)-isomer; structure given in first source. benalaxyl : A racemate comprising equal amounts of (R)- and (S)-benalaxyl.. methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate : An alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate	7.5	2	alanine derivative; aromatic amide; carboxamide; methyl ester
dichlozolinate dichlozolinate: structure given in first source. chlozolinate : A racemate comprising equimolar amounts of (R)- and (S)-chlozolinate. An obsolete fungicide, formerly used as a foliar spray against Botrytis, Sclerotinia and Monilia spp.. ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate : The ethyl ester of 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylic acid.	2.01	1	dicarboximide; dichlorobenzene; ethyl ester; oxazolidinone
oxadixyl oxadixyl: structure given in first source. oxadixyl : An oxazolidinone that is N-(2,6-dimethylphenyl)-2-methoxyacetamide in which the amide hydrogen is replaced by a 2-oxo-1,3-oxazolidin-3-yl group. A systemic fungicide used to treat seeds of a variety of food crops, as well as lawns.	2.01	1	anilide fungicide; aromatic amide; carbohydrazide; ether; oxazolidinone	agrochemical
florisil Florisil: hard, porous, granular substance used in vitamin analysis, chromatography, & antibiotic processing	2.03	1
cathinone cathinone: alkaloid from khat shrub, Catha edulis; RN given refers to parent cpd without isomeric designation. cathinone : The S stereoisomer of 2-aminopropiophenone.	2.07	1	2-aminopropiophenone; monoamine alkaloid	central nervous system stimulant; psychotropic 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.	3.51	1	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
hexaconazole 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol : A member of the class of triazoles that is 1-hexyl-1H-1,2,4-triazole in which the hydrogens at position 2 of the hexyl chain are replaced by hydroxy and 2,4-dichlorophenyl groups.. hexaconazole : A racemate comprising equimolar amounts of (R)- and (S)-hexaconazole. An agricultural fungicide introduced in the 1980s, it is not approved for use within the European Union.	2.98	4	dichlorobenzene; tertiary alcohol; triazoles	chelator
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	4.25	17	1,2,3-triazole
harmol harmol: harmol is oxidized form of alkaloid harmolol; RN given refers to parent cpd; structure	3.51	1	harmala alkaloid
stearyltrimethylammonium bromide octadecyltrimethylammonium bromide: structure in first source	2.44	2
fluphenacur fluphenacur: RN given refers to parent cpd	2.02	1	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound
prochloraz Mirage: a feldspathic porcelain that can be etched & bonded to the tooth. prochloraz : A member of the class of ureas that is 1H-imidazole-1-carboxamide substituted by a propyl and a 2-(2,4,6-trichlorophenoxy)ethyl group at the amino nitrogen atom. A fungicide active against a wide range of diseases affecting field crops, fruit, turf and vegetables.	2.07	1	amide fungicide; aromatic ether; conazole fungicide; imidazole fungicide; imidazoles; trichlorobenzene; ureas	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
flusilazole flusilazole: structure given in first source. flusilazole : An organosilicon compound that is dimethylsilane in which the hydrogens attached to the silicon are replaced by p-fluorophenyl groups and a hydrogen attached to one of the methyl groups is replaced by a 1H-1,2,4-triazol-1-yl group. It is a broad-sepctrum fungicide used to protect a variety of crops.	2.07	1	conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
tetraconazole tetraconazole : A racemate comprising equal amounts of (R)- and (S)-tetraconazole. A fungicide used to control a range of fungal infections including powdery mildew, rusts, bunt, loose smut and scab.. 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole : A member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl group.	2.01	1	dichlorobenzene; ether; organofluorine compound; triazoles
tebuconazole Lynx: A genus in the family FELIDAE comprising felines with long legs, ear tufts, and a short tail.. 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol : A tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively.. tebuconazole : A racemate composed of equimolar amounts of (R)- and (S)-tebuconazole. A fungicide effective against various smut and bunt diseases in cereals and other field crops.	3.23	5	monochlorobenzenes; tertiary alcohol; triazoles
metconazole metconazole : A member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl and 4-chlorobenzyl and geminal dimethyl substituents at positions 1, 2 and 5 respectively. Used to control a range of fungal infections including alternaria, rusts, fusarium and septoria diseases.	7.31	1	conazole fungicide; cyclopentanols; monochlorobenzenes; tertiary alcohol; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
fludioxonil fludioxonil: structure in first source. fludioxonil : A member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group. A fungicide seed treatment for control of a range of diseases including Fusarium, Rhizoctonia and Alternaria.	3.36	6	benzodioxoles; nitrile; organofluorine compound; pyrroles	androgen antagonist; antifungal agrochemical; estrogen receptor agonist
pyrimethanil pyrimethanil: structure in first source. pyrimethanil : A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying two additional methyl substituents at positions 4 and 6. A fungicide used to control grey mould on fruit, vegetables and ornamentals as well as leaf scab on pome fruit. Also commonly employed to control Botrytis cinerea throughout the winemaking process in grapes, must, fermenting must and wine.	7.05	1	aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic
penconazole penconazole: structure given in first source. penconazole : A racemate comprising equal amounts of (R)- and (S)-penconazole. A fungicide used to control powdery mildew, scab and other pathogenic Ascomycetes, Basidiomycetes and Deuteromycetes.. 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole : A member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group.	3.64	9	dichlorobenzene; triazoles
dimethenamid dimethenamid: structure in first source. dimethenamid : A racemate composed of equimolar amounts of (R)- and (S)-dimethenamid. A herbicide, it is applied to the soil for the control of various broad-leaved weeds and grasses. Only the S enantiomer (generally known as dimethenamid-P) is active.. 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide : An organochlorine compound that is 2-chloroacetamide substituted by a 2,4-dimethylthiophen-3-yl and a 1-methoxypropan-2-yl group at the nitrogen atom.	3.1	1	aromatic amide; ether; organochlorine compound; thiophenes
fosthiazate fosthiazate: structure in first source	2.05	1	organic phosphonate; organothiophosphate insecticide; phosphonic ester	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
thiamethoxam Thiamethoxam: A nitro-oxazine and thiazole derivative that is used as a broad spectrum neonicotinoid insecticide.. thiamethoxam : An oxadiazane that is tetrahydro-N-nitro-4H-1,3,5-oxadiazin-4-imine bearing (2-chloro-1,3-thiazol-5-yl)methyl and methyl substituents at positions 3 and 5 respectively.	8.23	5	1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane	antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine: cyclic methadone metabolite; RN given refers to parent cpd; structure	2.03	1
zoxamide zoxamide: no further info available 4/02. zoxamide : A racemate comprising equimolar amounts of (R)- and (S)-zoxamide. A fungicide used for the control of various fungal infections including blight in potatoes and tomatoes.. 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3,5-dichloro-4-methylbenzamide with the amino group of 3-amino-1-chloro-3-methylpentan-2-one.	7.44	2	alpha-chloroketone; benzamides; dichlorobenzene
singlet oxygen Singlet Oxygen: An excited state of molecular oxygen generated photochemically or chemically. Singlet oxygen reacts with a variety of biological molecules such as NUCLEIC ACIDS; PROTEINS; and LIPIDS; causing oxidative damages.	2.06	1	chalcogen; monoatomic oxygen; nonmetal atom	macronutrient
fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols	2.11	1
lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure.	2.01	1
spirodiclofen spirodiclofen: an acaricide	7.31	1	dichlorobenzene; gamma-lactone; organochlorine acaricide; oxaspiro compound
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide boscalid : A pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals.	3.51	1	anilide fungicide; biphenyls; monochlorobenzenes; pyridinecarboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; environmental contaminant; xenobiotic
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide: structure in first source. fenhexamid : An aromatic amide resulting from the formal condensation of the carboxy group of 1-methylcyclohexanecarboxylic acid with the amino group of 4-amino-2,3-dichlorophenol.	2.31	1	anilide fungicide; aromatic amide; dichlorobenzene; monocarboxylic acid amide; phenols	antifungal agrochemical; EC 1.14.13.72 (methylsterol monooxygenase) inhibitor; sterol biosynthesis inhibitor
griseofulvin Griseofulvin: An antifungal agent used in the treatment of TINEA infections.. griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment.	3.51	1	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
lignans Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)	2.01	1
validamycin a validamycin A : A member of the class of validamycins that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which the hydroxy group at position 1 has been converted to its beta-D-glucoside and in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It is the major validamycin produced by Streptomyces hygroscopicus.	3.51	1	antibiotic fungicide; polyol; secondary amino compound; validamycins	antifungal agrochemical; EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor; EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor; EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
ketoconazole (2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.	3.51	1	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
ethylenethiourea Ethylenethiourea: A degradation product of ethylenebis(dithiocarbamate) fungicides. It has been found to be carcinogenic and to cause THYROID hyperplasia.	7.43	2	imidazolidines
fumonisin b1 fumonisin B1: isolated from Fusarium moniliforme MRC 826; structure given in first source; has cancer-promoting activity; inhibits ceramide synthase. fumonisin B1 : A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol.	2.11	1	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite
nadp [no description available]	2.07	1
1,1-diphenyl-2-picrylhydrazyl 1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974)	2.06	1
nabam mancozeb: complex of zinc & maneb, containing 20% manganese & 2.5% zinc. mancozeb : A mixture composed from maneb and zineb, which is used as a broad-spectrum contact fungicide.. ethylenebis(dithiocarbamic acid) : A dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine.	3.85	11	dithiocarbamic acids
zineb Zineb: An agricultural fungicide of the dithiocarbamate class. It has relatively low toxicity and there is little evidence of human injury from exposure.. zineb : A polymeric complex of zinc with the ethylene bis(dithiocarbamate) anionic ligand. Formerly used as an agricultural fungicide for the control of downy mildews and rusts, its use is no longer permitted in the US or the EU.	8.83	11	dithiocarbamate salt; macromolecule; zinc coordination entity	antifungal agrochemical
maneb Maneb: Manganese derivative of ethylenebisdithiocarbamate. It is used in agriculture as a fungicide and has been shown to cause irritation to the eyes, nose, skin, and throat.. maneb : A polymeric complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand. An agrochemical fungicide, it is used to control a variety of diseases including blight, leaf spot, rust, downy mildew and scab.	3.75	10
thiophanate thiophanate-methyl : A member of the class of thioureas that is the dimethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould.	2.07	1	benzimidazole precursor fungicide; carbamate ester; carbamate fungicide; thioureas	antifungal agrochemical
azoxystrobin azoxystrobin: a methoxyacrylate analog; a strobilurin fungicide; structure given in first source. azoxystrobin : An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture.	4.2	4	aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic
epoxiconazole epoxiconazole : A racemate composed of equimolar amounts of (2S,3R)- and (2R,3S)-epoxiconazole. A broad-spectrum fungicide for control of diseases caused by Ascomycetes, Basidiomycetes and Deuteromycetes. Epoxiconazole is moderately toxic to birds, honeybees, earthworms and most aquatic organisms.. 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole : An epoxide that is oxirane substituted by a 2-chlorophenyl, 4-fluorophenyl and a 1H-1,2,4-triazol-1-ylmethyl groups.	2.17	1	epoxide; monochlorobenzenes; monofluorobenzenes; triazoles
cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.	2.03	1	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
harmine Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.	3.51	1	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; 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.	3.51	1	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
cyhalothrin cyhalothrin: acaricidal & insecticidal synthetic pyrethroid; structure given in first source. cyhalothrin : A carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol.	2.54	2	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
codeine [no description available]	2.05	1	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
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.	2.05	1	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
2-cyano-n-((ethylamino)carbonyl)-2-(methoxyimino)acetamide 2-cyano-N-((ethylamino)carbonyl)-2-(methoxyimino)acetamide: RN given refers to parent cpd; structure in first source	2.74	3
1-methyl-beta-carboline-3-carboxylic acid 1-methyl-beta-carboline-3-carboxylic acid: metabolite from cows fed with corn silage; structure in first source	3.51	1
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	2.6	1	cysteinium	fundamental metabolite
dimethomorph dimethomorph: structure given in first source; RN given refers to cpd without isomeric designation. (Z)-dimethomorph : An enamide resulting from the formal condensation of (2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. The agricultural fungicide dimethomorph is a mixture of (E)- and (Z)-dimethomorph; only the Z isomer has fungicidal activity.. dimethomorph : A mixture of (E)- and (Z)-dimethomorph in an unspecified ratio. It is used as a systemic fungicide used on vines, potatoes, and greenhouse crops; only the Z isomer has fungicidal activity.	3.15	5	aromatic ether; enamide; monochlorobenzenes; morpholine fungicide; tertiary carboxamide
kresoxim-methyl kresoxim-methyl: strobilurin analogue; an industrial fungicide. kresoxim-methyl : A carboxylic ester that is the methyl ester of (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fungal diseases on a wide range of crops.	2.05	1	aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic
triticonazole triticonazole: a fungicide triticonazole. triticonazole : A racemate comprising equal amounts of (R)- and (S)-triticonazole. A seed treatment fungicide for the control of common bunt, loose smut and covered smut on barley, oats and wheat.	7.31	1
borrelidin [no description available]	2.07	1
nyasol nyasol: from roots Asparagus africanus; structure given in first source	2.01	1	1,3-bis(p-hydroxyphenyl)pentane-1,4-diene	plant metabolite
cyazofamid cyazofamid: a fungicide; structure in first source. cyazofamid : A member of the class of imidazoles carrying dimethylsulfamyl, cyano, chloro and 4-tolyl substituents at positions 1, 2, 4 and 5 respectively. A fungicide used mainly for controlling Oomycete and Plasmodiophora diseases on potatoes and tomatoes. It is a skin and eye irritant and is moderately toxic to birds, most aquatic organisms, honeybees and earthworms.	7.46	2	imidazole fungicide; imidazoles; nitrile; organochlorine compound; sulfamides; sulfonamide fungicide	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	2.1	1	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
mefenoxam metalaxyl-M : A methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate that is the more active R-enantiomer of metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops.	2.74	3	acylamino acid fungicide; anilide fungicide; D-alanine derivative; methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate	agrochemical
ethaboxam ethaboxam: a fungicide; structure in first source. ethaboxam : A racemate comprising equimolar amounts of (R)- and (S)-ethaboxam. A fungicide used to control Oomycetes in vines and late potato blight. It is moderately toxic to birds, most aquatic species, honey bees and earthworms.. N-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide : A member of the class of aromatic amides obtained by formal condensation of the carboxy group of 4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxylic acid with the amino group of amino(2-thienyl)acetonitrile.	2.31	1	1,3-thiazoles; aromatic amide; aromatic amine; nitrile; secondary amino compound; thiophenes
nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.	2.02	1	nystatins
cyantraniliprole cyantraniliprole: an insecticide; structure in first source. cyantraniliprole : A carboxamide that is chlorantraniliprole in which the chlorine atom attached to the phenyl ring has been replaced by a cyano group. A ryanodine receptor agonist, it is used as insecticide for the control of whitefly, thrips, aphids, fruitflies, and fruit worms in crops such as onions, potatoes and tomatoes. It is highly toxic to honeybees.	7.25	1	nitrile; organobromine compound; organochlorine compound; pyrazole insecticide; pyridines; secondary carboxamide	ryanodine receptor agonist
acid phosphatase Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2.	2.69	3
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	2.1	1	glycoside
chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.	2.25	1	chlorophyll; methyl ester	cofactor
nitrogenase Nitrogenase: An enzyme system that catalyzes the fixing of nitrogen in soil bacteria and blue-green algae (CYANOBACTERIA). EC 1.18.6.1.	7	1
trifloxystrobin trifloxystrobin : The methyl ester of (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetic acid. A foliar applied fungicide for cereals which is particularly active against Ascomycetes, Deuteromycetes and Oomycetes	2.05	1
kaolinite Kaolin: The most common mineral of a group of hydrated aluminum silicates, approximately H2Al2Si2O8-H2O. It is prepared for pharmaceutical and medicinal purposes by levigating with water to remove sand, etc. (From Merck Index, 11th ed) The name is derived from Kao-ling (Chinese: high ridge), the original site. (From Grant & Hackh's Chemical Dictionary, 5th ed). kaolin : An aluminosilicate soft white mineral named after the hill in China (Kao-ling) from which it was mined for centuries. In its natural state kaolin is a white, soft powder consisting principally of the mineral kaolinite, and varying amounts of other minerals such as muscovite, quartz, feldspar, and anatase. It is used in the manufacture of china and porcelain and also widely used in the production of paper, rubber, paint, drying agents, and many other products.	2.21	1	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
clay Clay: A naturally-occurring rock or soil constituent characterized by particles with a diameter of less than 0.005 mm. It is composed primarily of hydrous aluminum silicates, trace amounts of metal OXIDES, and organic matter.	3.15	5
oxathiapiprolin oxathiapiprolin: fungicide, structure in first source. 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone : An N-acylpiperidine that is N-acetyl 4-(1,3-thiazol-2-yl)piperidine in which the thiazole ring is substituted at position 4 by a 5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl group and in which one of the hydrogens of the acetyl group is replaced by a 5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl group.. oxathiapiprolin : A racemate comprising equimolar amounts of (R)- and (S)-oxathiapiprolin.	7.41	1	1,3-thiazoles; isoxazoline; N-acylpiperidine; organofluorine compound; pyrazoles; tertiary carboxamide
pyrethrins [no description available]	3.02	4
methylnitronitrosoguanidine Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties.. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position	1.98	1	nitroso compound	alkylating agent
imidacloprid imidacloprid: systemic & contact insecticide exhibiting low mammalian toxicity; structure given in first source; it is one of the neonicotinoid insecticides, which acts as an antagonist by binding to postsynaptic nicotinic receptors in the insect central nervous system. imidacloprid : An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1.	2.97	4	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic
clothianidin clothianidin: structure in first source. clothianidin : An N-nitro compound consisting of 2-nitroguanidine having a (2-chloro-1,3-thiazol-5-yl)methyl group at position 1 and a methyl group at position 3.	2.25	1	1,3-thiazoles; 2-nitroguanidine derivative; clothianidin; organochlorine compound	environmental contaminant; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic
metallothionein Metallothionein: A low-molecular-weight (approx. 10 kD) protein occurring in the cytoplasm of kidney cortex and liver. It is rich in cysteinyl residues and contains no aromatic amino acids. Metallothionein shows high affinity for bivalent heavy metals.	2.11	1

Condition	Relationship Strength	Studies
Congenital Zika Syndrome [description not available]	2.25	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.25	1
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	2.25	1
Fungal Diseases [description not available]	3.33	1
Mycoses Diseases caused by FUNGI.	3.33	1
Fish Diseases Diseases of freshwater, marine, hatchery or aquarium fish. This term includes diseases of both teleosts (true fish) and elasmobranchs (sharks, rays and skates).	2.41	1
Acute Liver Injury, Drug-Induced [description not available]	2.41	1
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	2.41	1
Breast Cancer [description not available]	7.15	1
Breast Neoplasms Tumors or cancer of the human BREAST.	2.15	1
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	2.92	4
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.	1.98	1
Abnormalities, Autosome [description not available]	1.99	1
Cocarcinogenesis The combination of two or more different factors in the production of cancer.	6.99	1
Bradyarrhythmia [description not available]	1.97	1
Asystole [description not available]	1.97	1
Bradycardia Cardiac arrhythmias that are characterized by excessively slow HEART RATE, usually below 50 beats per minute in human adults. They can be classified broadly into SINOATRIAL NODE dysfunction and ATRIOVENTRICULAR BLOCK.	6.97	1
Heart Arrest Cessation of heart beat or MYOCARDIAL CONTRACTION. If it is treated within a few minutes, heart arrest can be reversed in most cases to normal cardiac rhythm and effective circulation.	1.97	1

metalaxyl

Description

Cross-References

Synonyms (102)

Research Excerpts

Overview

Effects

Toxicity

Bioavailability

Dosage Studied

Drug Classes (5)

Protein Targets (9)

Potency Measurements

Bioassays (80)

Research

Studies (243)

Market Indicators

Research Demand Index: 44.67

Study Types

metalaxyl

Description

Cross-References

Synonyms (102)

Research Excerpts

Overview

Effects

Toxicity

Bioavailability

Dosage Studied

Drug Classes (5)

Protein Targets (9)

Potency Measurements

Bioassays (80)

Research

Studies (243)

Market Indicators

Research Demand Index: 44.67

Study Types

Related Drugs (209)

Related Conditions (18)