| Substance | Relationship Strength | Studies | Trials | 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 | 0 | ethanediol;
glycol | metabolite;
mouse metabolite;
solvent;
toxin |
acetic acid
Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons. | 2.04 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 2 | 1 | 0 | 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. | 2.17 | 1 | 0 | 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 |
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 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
carbamates
[no description available] | 4.01 | 13 | 0 | amino-acid anion | |
glycine
[no description available] | 2.21 | 1 | 0 | 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 |
glycerol
Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil. | 7.71 | 3 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
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. | 2.42 | 2 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
niacinamide
nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. | 3.21 | 5 | 0 | pyridine alkaloid;
pyridinecarboxamide;
vitamin B3 | anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor |
nitrates
Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical. | 2 | 1 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | |
oxalic acid
Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. | 2.17 | 1 | 0 | alpha,omega-dicarboxylic acid | algal metabolite;
human metabolite;
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 | 0 | 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 | 0 | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
phenytoin
[no description available] | 1.96 | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
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. | 2.03 | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
organochlorine compound | environmental contaminant;
herbicide;
xenobiotic |
p-aminohippuric acid
p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity.. p-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.. p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow. | 1.97 | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
atrazine
[no description available] | 7.99 | 4 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
carbofuran
Carbofuran: A cholinesterase inhibitor that is used as a systemic insecticide, an acaricide, and nematocide. (From Merck Index, 11th ed) | 7.25 | 1 | 0 | 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. | 3.43 | 6 | 0 | chloropyridine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
cypermethrin
cypermethrin : A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile.. zeta-cypermethrin : A diastereoisomeric mixture comprising the isomeric pair (1R)-cis-(alphaS)- and (1S)-trans-(alphaR)-cypermethrin together with the isomeric pair (1S)-cis-(alphaS)- and (1S)-trans-(alphaS)-cypermethrin where the ratio between the isomeric pairs lies in the range 45:55 to 55:45. | 2.7 | 3 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound | agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
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 | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene | environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic |
endosulfan
Endosulfan: A polychlorinated compound used for controlling a variety of insects. It is practically water-insoluble, but readily adheres to clay particles and persists in soil and water for several years. Its mode of action involves repetitive nerve-discharges positively correlated to increase in temperature. This compound is extremely toxic to most fish. (From Comp Biochem Physiol (C) 1993 Jul;105(3):347-61). endosulfan : A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10. | 2.75 | 3 | 0 | cyclic sulfite ester;
cyclodiene organochlorine insecticide | acaricide;
agrochemical;
GABA-gated chloride channel antagonist;
persistent organic pollutant |
erythrosine
Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays. | 2.07 | 1 | 0 | | |
ethoxyquin
Ethoxyquin: Antioxidant; also a post-harvest dip to prevent scald on apples and pears.. ethoxyquin : A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6. | 7 | 1 | 0 | aromatic ether;
quinolines | antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator |
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. | 1.96 | 1 | 0 | aromatic ether;
carboxylic ester;
monochlorobenzenes | pyrethroid ester acaricide;
pyrethroid ester insecticide |
flutamide
Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species. | 2.02 | 1 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent |
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 | 1 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
malathion
Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.. diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group. | 7.81 | 3 | 0 | diester;
ethyl ester;
organic thiophosphate | |
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. | 2.03 | 1 | 0 | aromatic amide;
benzenes;
ether;
organochlorine compound | |
patulin
Patulin: 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one. A mycotoxin produced by several species of Aspergillus and Penicillium. It is found in unfermented apple and grape juice and field crops. It has antibiotic properties and has been shown to be carcinogenic and mutagenic and causes chromosome damage in biological systems.. patulin : A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. | 7.48 | 2 | 0 | furopyran;
gamma-lactone;
lactol | antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite |
propanil
Propanil: A chlorinated anilide that is used as an herbicide.. propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat. | 2.45 | 2 | 0 | anilide;
dichlorobenzene | herbicide |
propargite
Omite: structure | 2.04 | 1 | 0 | sulfite ester;
terminal acetylenic compound | sulfite ester acaricide |
tetraethylammonium
Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90) | 1.97 | 1 | 0 | quaternary ammonium ion | |
thiabendazole
Tresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate | 2.46 | 2 | 0 | 1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles | antifungal agrochemical;
antinematodal drug |
tolnaftate
[no description available] | 2.1 | 1 | 0 | monothiocarbamic ester | antifungal drug |
piperonyl butoxide
[no description available] | 2.01 | 1 | 0 | benzodioxoles | pesticide synergist |
benzimidazole
1H-benzimidazole : The 1H-tautomer of benzimidazole. | 2.46 | 2 | 0 | benzimidazole;
polycyclic heteroarene | |
alanine
Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. | 2.71 | 3 | 0 | 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 |
chloramphenicol
Amphenicol: Chloramphenicol and its derivatives. | 1.99 | 1 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
aspartic acid
Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid. | 2.03 | 1 | 0 | aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
mouse metabolite;
neurotransmitter |
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. | 2.03 | 1 | 0 | carbamate ester;
naphthalenes | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant |
histidine
Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. | 2.03 | 1 | 0 | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
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 | 1 | 0 | aliphatic nitrile;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent |
tert-butyl alcohol
tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. | 2.04 | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
isobutyl alcohol
isobutyl alcohol: RN given refers to parent cpd | 2 | 1 | 0 | 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. | 1.99 | 1 | 0 | aromatic fungicide;
C-nitro compound;
pentachlorobenzenes | antifungal agrochemical |
diquat
Diquat: A contact herbicide used also to produce desiccation and defoliation. (From Merck Index, 11th ed). diquat : The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide. | 2.06 | 1 | 0 | organic cation | defoliant;
herbicide |
tetrahydrophthalimide
tetrahydrophthalimide: captan metabolite in fruit crops | 7.21 | 1 | 0 | | |
phthalimide
phthalimide: RN given refers to parent cpd. phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. | 7.21 | 1 | 0 | phthalimides | |
quinoxalines
quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4. | 2.06 | 1 | 0 | mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene | |
3,4-dichloroaniline
3,4-dichloroaniline : A dichloroaniline having the two chloro-substituents at the 3- and 4-positions. | 2 | 1 | 0 | dichloroaniline | epitope;
xenobiotic |
dicloran
2,6-dichloro-4-nitroaniline : A nitroaniline that is 4-nitroaniline in which the hydrogens at positions 2 and 6 are replaced by chlorines. An agricultural fungicide, it is not approved for use in the European Union. | 2.68 | 3 | 0 | aromatic fungicide;
dichlorobenzene;
nitroaniline | antifungal agrochemical |
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. | 4.37 | 19 | 0 | 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. | 2.06 | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | 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. | 3.3 | 6 | 0 | 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. | 2.96 | 4 | 0 | organochlorine compound;
organosulfur compound;
phthalimide fungicide | antifungal agrochemical |
isoxazoles
Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent. | 2.06 | 1 | 0 | isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
oxazoles
Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. | 4.4 | 21 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
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. | 2 | 1 | 0 | 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. | 6.31 | 141 | 0 | 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. | 6.32 | 142 | 0 | imidazolidine-2,4-dione | |
alpha-aminopyridine
alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups. | 2.59 | 2 | 0 | | |
neburon
neburon: structure in Merck Index, 9th ed, #6264 | 2 | 1 | 0 | ureas | |
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 7.31 | 1 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
3,5-dichloroaniline
[no description available] | 3.54 | 8 | 0 | dichloroaniline | |
n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide
N-dichlorofluoromethylthio-N',N'-dimethyl-N-p-tolylsulfamide: an endocrine disruptor; structure given in first source. tolylfluanid : A member of the class of sulfamides that is dichlofluanid in which the hydrogen at the para position of the phenyl group is replaced by a methyl group. A fungicide first marketed in 1971 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. | 2.03 | 1 | 0 | organochlorine compound;
organofluorine compound;
phenylsulfamide fungicide;
sulfamides | antifungal agrochemical;
genotoxin |
chlormequat
Chlormequat: A plant growth regulator that is commonly used on ornamental plants.. chlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants. | 2.06 | 1 | 0 | quaternary ammonium ion | plant growth retardant |
pyrrolnitrin
Pyrrolnitrin: 3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole. Antifungal antibiotic isolated from Pseudomonas pyrrocinia. It is effective mainly against Trichophyton, Microsporium, Epidermophyton, and Penicillium.. pyrrolnitrin : A member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively. | 7.07 | 1 | 0 | alkaloid;
C-nitro compound;
monochlorobenzenes;
pyrroles | antifungal drug;
bacterial metabolite |
d-alpha tocopherol
Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | 2.4 | 2 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
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. | 2.96 | 4 | 0 | 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. | 2.77 | 3 | 0 | isoindoles;
organochlorine compound;
organosulfur compound;
phthalimide fungicide | antifungal agrochemical |
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 | 0 | dinitrile;
naphthodithiin;
p-quinones | antifungal agrochemical |
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. | 2.03 | 1 | 0 | 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. | 7.98 | 4 | 0 | titanium group element atom | |
sodium nitrate
sodium nitrate : The inorganic nitrate salt of sodium. | 2 | 1 | 0 | inorganic nitrate salt;
inorganic sodium salt | fertilizer;
NMR chemical shift reference compound |
potassium sulfate
potassium sulfate: RN given refers to cpd with MF of K2-H2SO4 | 2 | 1 | 0 | inorganic potassium salt;
potassium salt | |
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. | 3.87 | 11 | 0 | 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 | 0 | ammonium salt;
inorganic chloride | ferroptosis inhibitor |
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. | 7.98 | 4 | 0 | 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. | 2.06 | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
naphthalenes | |
benomyl
[no description available] | 2.08 | 1 | 0 | aromatic amide;
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | acaricide;
anthelminthic drug;
antifungal agrochemical;
microtubule-destabilising agent;
tubulin modulator |
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. | 2.48 | 2 | 0 | benzenes;
phenyl acetates | |
triazophos
triazophos: structure | 1.99 | 1 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide |
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 | 0 | 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. | 4.2 | 17 | 0 | | |
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. | 2.45 | 2 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
enilconazole
enilconazole: RN given refers to parent cpd. enilconazole : A racemate comprising equimolar amounts of (R)- and (S)-enilconazole. A fungicide used to control a wide range of fungi including Tilletia and Helminthosporium spp. on fruit, vegetables and ornamentals. In veterinary medicine, it is used topically for the treatment of fungal skin infections in cattle, dogs, and horses; it is also used by inhalation for the treatment of aspergillosis in ostriches.. 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group. | 2.42 | 2 | 0 | dichlorobenzene;
ether;
imidazoles | |
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. | 4.25 | 18 | 0 | dicarboximide;
dichlorobenzene;
olefinic compound;
oxazolidinone | |
permethrin
hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141 | 1.96 | 1 | 0 | cyclopropanecarboxylate ester;
cyclopropanes | agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide |
decamethrin
decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure | 2.69 | 3 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound | agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide |
metalaxyl
metalaxyl: RN given refers to (DL-Ala)-isomer. 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.. 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. | 2.94 | 4 | 0 | alanine derivative;
aromatic amide;
carboxamide;
ether;
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. | 2.46 | 2 | 0 | monochlorobenzenes;
pyrimidines;
tertiary alcohol | |
propiconazole
Orbit: Bony cavity that holds the eyeball and its associated tissues and appendages. | 2.78 | 3 | 0 | conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
chlorsulfuron
chlorsulfuron: RN given refers to parent cpd; structure given in first source. chlorsulfuron : An N-sulfonylurea that is N-carbamoyl-2-chlorobenzenesulfonamide in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used for the control of broadleaf weeds in wheat, barley and oats. | 2.05 | 1 | 0 | methoxy-1,3,5-triazine;
monochlorobenzenes;
N-sulfonylurea | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
fenoxaprop ethyl
Puma: A genus in the family FELIDAE comprising one species, Puma concolor. It is a large, long-tailed, feline of uniform color. The names puma, cougar, and mountain lion are used interchangeably for this species. There are more than 20 subspecies. | 2.03 | 1 | 0 | aromatic ether | |
metazachlor
metazachlor: alpha-chloroacetamide herbicide. metazachlor : An organochlorine compound that is 2-chloroacetamide substituted by a 2,6-dimethylphenyl and a (1H-pyrazol-1-ylmethyl) group at the nitrogen atom. | 2.06 | 1 | 0 | aromatic amide;
organochlorine compound;
pyrazoles | environmental contaminant;
herbicide;
xenobiotic |
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. | 7.38 | 2 | 0 | dicarboximide;
dichlorobenzene;
ethyl ester;
oxazolidinone | |
imazaquin
imazaquin: RN given refer to parent cpd. imazaquin : A racemate comprising equimolar amounts of (R)- and (S)-imazaquin. It is a pre- and post-emergence herbicide used for the control of grasses and broad-leaved weeds.. 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid : A quinolinemonocarboxylic acid that is quinoline-3-carboxylic acid which is substituted by a 4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl group at position 2. | 2.03 | 1 | 0 | imidazolone;
monocarboxylic acid;
quinolinemonocarboxylic acid | |
clomazone
clomazone: an herbicide. clomazone : An isoxazolidinone that is 1,2-oxazolidin-3-one substituted by a 2-chlorobenzyl group at position 2 and two methyl groups at position 4. | 2.06 | 1 | 0 | isoxazolidinone;
monochlorobenzenes | agrochemical;
carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
diacetylfluorescein
[no description available] | 2.07 | 1 | 0 | | |
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. | 3.57 | 8 | 0 | 1,2,3-triazole | |
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 | 0 | 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 |
thifensulfuron methyl
thifensulfuron methyl: structure in first source. thifensulfuron-methyl : A methyl ester resulting from the formal condensation of the carboxy group of thifensulfuron with methanol. It is used as a post-emergence herbicide for the control of grass and broad-leaved weeds. | 2.06 | 1 | 0 | 1,3,5-triazines;
methyl ester;
N-sulfonylurea;
thiophenes | agrochemical;
environmental contaminant;
herbicide;
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 | 0 | conazole fungicide;
monofluorobenzenes;
organosilicon compound;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
oxazolidin-2-one
Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups. | 2.06 | 1 | 0 | carbamate ester;
oxazolidinone | metabolite |
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. | 8.01 | 4 | 0 | monochlorobenzenes;
tertiary alcohol;
triazoles | |
dimethomorph
[no description available] | 2.05 | 1 | 0 | mixture;
morpholine fungicide | antifungal agrochemical;
environmental contaminant;
xenobiotic |
cyprodinil
cyprodinil: structure in first source. cyprodinil : A member of the class of aminopyrimidine that is N-phenylpyrimidin-2-amine carrying additional cyclopropyl and methyl substituents at positions 4 and 6 respectively. A broad spectrum fungicide used to control a range of pathogens including Tapesia yallundae, Botrytis spp., Alternaria spp. and Rhynchospium secalis. Whilst it is a recognised irritant no serious human health concerns have been identified. It is moderately toxic to birds as well as most aquatic organisms and earthworms, but it is not considered toxic to honeybees. | 8.01 | 4 | 0 | aminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound | antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic |
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. | 4.38 | 19 | 0 | benzodioxoles;
nitrile;
organofluorine compound;
pyrroles | androgen antagonist;
antifungal agrochemical;
estrogen receptor agonist |
n-(3,5-dichlorophenyl)succinimide
N-(3,5-dichlorophenyl)succinimide: nephrotoxic; post-treatment enhanced induction of renal cell tumors in rats by dimethylnitrosamine, pre-treatment inhibited induction of tumors, & alone caused interstitial nephritis but no tumors | 7.39 | 2 | 0 | pyrrolidines | |
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. | 7.48 | 2 | 0 | aminopyrimidine;
anilinopyrimidine fungicide;
secondary amino compound | antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic |
pencycuron
pencycuron: structure given in first source. pencycuron : A member of the class of phenylureas that is urea which is substituted by p-chlorobenzyl and cyclopentyl groups at position 1 and a phenyl group at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It is not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. | 2.17 | 1 | 0 | monochlorobenzenes;
phenylureas | antifungal agrochemical |
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. | 2.06 | 1 | 0 | dichlorobenzene;
triazoles | |
fenpiclonil
fenpiclonil : A member of the class of pyrroles carrying cyano and 2,3-dichlorophenyl substituents at positions 3 and 4 respectively. A fungicide used mainly to control seed-borne pathogens in cereal crops. | 2.03 | 1 | 0 | dichlorobenzene;
nitrile;
pyrroles | antifungal agrochemical |
fluazinam
fluazinam: structure given in first source. fluazinam : A member of the class of aminopyridines that is 2-amino-5-(trifluoromethyl)pyridine in which one of the amino hydrogens is replaced by a 3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl group. A fungicide used to control grey mould, downy mildew and other fungal pathogens. | 2.59 | 2 | 0 | (trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound | allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic |
diflufenican
diflufenican : A pyridinecarboxamide that is pyridine-3-carboxamide substituted by a 2,4-difluorophenyl group at the carbamoyl nitrogen and a 3-(trifluoromethyl)phenoxy group at position 2. | 2.06 | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide | carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
diethofencarb
diethofencarb: structure given in first source. diethofencarb : A carbamate ester that is the isopropyl ester of (3,4-diethoxyphenyl)carbamic acid. A fungicide with strong activity against Botrytis cinerea and benzimidazole-resistant strains of Botryis spp. | 2.04 | 1 | 0 | aromatic ether;
carbamate ester;
carbanilate fungicide | antifungal agrochemical |
cyclic adp-ribose
Cyclic ADP-Ribose: A pyridine nucleotide that mobilizes CALCIUM. It is synthesized from nicotinamide adenine dinucleotide (NAD) by ADP RIBOSE CYCLASE. | 2.02 | 1 | 0 | cyclic purine nucleotide;
nucleotide-sugar | metabolite;
ryanodine receptor agonist |
quizalofop
quizalofop : A racemate comprising equimolar amounts of quizalofop-P of and (S)-quizalofop. Quizalofop is used (commonly as the corresponding ethyl ester, known as quizalofop-ethyl) as a selective post-emergence herbicide against annual and winter-hard grasses. The active isomer is the R enantiomer, which is known as quizalofop-P.. 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid : A monocarboxylic acid that is 2-phenoxypropanoic acid in which the phenyl group is substituted at the para position by a (6-chloroquinoxalin-2-yl)oxy group. | 2.06 | 1 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative | |
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. | 2.07 | 1 | 0 | anilide fungicide;
biphenyls;
monochlorobenzenes;
pyridinecarboxamide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
environmental contaminant;
xenobiotic |
prizes
acetamiprid: structure in first source. (E)-acetamiprid : The (E)-stereoisomer of acetamiprid.. acetamiprid : A carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group. | 2.03 | 1 | 0 | carboxamidine;
monochloropyridine;
nitrile | environmental contaminant;
neonicotinoid insectide;
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. | 2.48 | 2 | 0 | anilide fungicide;
aromatic amide;
dichlorobenzene;
monocarboxylic acid amide;
phenols | antifungal agrochemical;
EC 1.14.13.72 (methylsterol monooxygenase) inhibitor;
sterol biosynthesis inhibitor |
famoxadone
famoxadone: strobilurin analogue; structure in first source. famoxadone : A racemate composed of equimolar amounts of (R)- and (S)-famoxadone. It prevents spore germination and mycelial growth of sensitive fungi, and is used in agriculture for the control of various fungal diseases. Only the (S)- enantiomer is active.. 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione : A member of the class of oxazolidinones that is 1,3-oxazolidine-2,4-dione in which the hydrogen attached to the nitrogen is substituted by a phenylamino group and the hydrogens at position 5 are substituted by methyl and 4-phenoxyphenyl groups. | 7.07 | 1 | 0 | aromatic ether;
carbohydrazide;
oxazolidinone | |
nsc 141537
diacetoxyscirpenol: mycotoxin belonging to 12,13-epoxytrichothecene group; RN given refers to (3alpha,4beta)-isomer; structure | 1.98 | 1 | 0 | trichothecene | |
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 2.03 | 1 | 0 | cyclodextrin | |
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. | 2.05 | 1 | 0 | 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. | 2.05 | 1 | 0 | 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. | 2.05 | 1 | 0 | | |
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. | 2.47 | 2 | 0 | benzimidazole precursor fungicide;
carbamate ester;
carbamate fungicide;
thioureas | antifungal agrochemical |
thiophanate
Thiophanate: Nematocide used in livestock; also has fungicidal properties.. thiophanate : A member of the class of thioureas that is the diethyl 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. | 8.13 | 5 | 0 | benzimidazole precursor fungicide;
carbamate ester;
carbamate fungicide;
thioureas | antifungal drug |
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. | 3.36 | 6 | 0 | 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 |
dimethyldithiocarbamate
Dimethyldithiocarbamate: A chemical that acts as a dopamine beta-hydroxylase inhibitor. Its salts are agricultural fungicides. It is inferior to diethyldithiocarbamate as a chelating agent.. dimethyldithiocarbamate : A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dimethyldithiocarbamic acid. The major species at pH 7.3. | 2 | 1 | 0 | dithiocarbamate anions | |
genistein
[no description available] | 2.78 | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
zearalenone
Zearalenone: (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes.. zearalenone : A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species. | 1.98 | 1 | 0 | macrolide;
resorcinols | fungal metabolite;
mycoestrogen |
c.i. fluorescent brightening agent 28
4,4'-bis({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)stilbene-2,2'-disulfonic acid : An organosulfonic acid comprising stilbene having 4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino groups at the 4 and 4'-positions and sulfo groups at the 2- and 2'-positions. | 2.21 | 1 | 0 | | |
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 | 0 | aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic |
oxalates
Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure. | 2.08 | 1 | 0 | | |
pyrachlostrobin
pyraclostrobin : A carbamate ester that is the methyl ester of [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamic acid. A fungicide used to control major plant pathogens including Septoria tritici, Puccinia spp. and Pyrenophora teres. | 3.01 | 4 | 0 | aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic |
staurosporine
staurosporinium : Conjugate acid of staurosporine. | 2.02 | 1 | 0 | ammonium ion derivative | |
mesosulfuron-methyl
mesosulfuron-methyl: an herbicide | 2.06 | 1 | 0 | | |
3,4-dimethylpyrazole phosphate
3,4-dimethyl-1H-pyrazole phosphate : A phosphate salt obtained by reacting 3,4-dimethyl-1H-pyrazole with one equivalent of phosphoric acid. It is a nitrification inhibitor and when used on crops, it prevents nitrogen loss from soil, increases nitrogen use efficiency, and boosts crop yields. | 2.15 | 1 | 0 | phosphate salt | nitrification inhibitor |
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. | 2.15 | 1 | 0 | | |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 2.25 | 1 | 0 | glycoside | |
chitosan
[no description available] | 7.46 | 2 | 0 | | |
peptones
Peptones: Derived proteins or mixtures of cleavage products produced by the partial hydrolysis of a native protein either by an acid or by an enzyme. Peptones are readily soluble in water, and are not precipitable by heat, by alkalis, or by saturation with ammonium sulfate. (Dorland, 28th ed) | 1.99 | 1 | 0 | | |
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 | 2.48 | 2 | 0 | | |
pyrethrins
[no description available] | 3.1 | 5 | 0 | | |
ferbam
ferbam: structure. ferbam : A dithiocarbamate salt that is the iron(III) salt of dimethyldithiocarbamic acid. Formerly used as a fungicide. | 2 | 1 | 0 | | |