| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
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. | 2.54 | 2 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
benzene
[no description available] | 2.15 | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 3.26 | 6 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
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. | 2.41 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.15 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
urea
pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. | 7.46 | 2 | 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 |
celiprolol
Celiprolol: A cardioselective beta-1 adrenergic antagonist that has intrinsic sympathomimetic activity. It is used in the management of ANGINA PECTORIS and HYPERTENSION. | 2.15 | 1 | 0 | aromatic ketone | |
chlorpyrifos
Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. | 2.11 | 1 | 0 | chloropyridine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
fipronil
fipronil: has low mammalian toxicity; structure given in first source. fipronil : A racemate comprising equimolar amounts of (R)- and (S)-fipronil.. 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile : A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively. | 2.11 | 1 | 0 | (trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide | |
trientine
Trientine: An ethylenediamine derivative used as stabilizer for EPOXY RESINS, as ampholyte for ISOELECTRIC FOCUSING and as chelating agent for copper in HEPATOLENTICULAR DEGENERATION.. TETA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group.. 2,2,2-tetramine : A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens. | 2.17 | 1 | 0 | polyazaalkane;
tetramine | copper chelator |
phencyclidine
Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. | 2.25 | 1 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
veratryl alcohol
(3,4-dimethoxyphenyl)methanol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 3 and 4 of the phenyl group are substituted by methoxy groups. | 2.02 | 1 | 0 | benzyl alcohols;
dimethoxybenzene;
primary alcohol | fungal metabolite |
ethylbenzene
[no description available] | 2.15 | 1 | 0 | alkylbenzene | |
ethyl phenylacetate
[no description available] | 2.08 | 1 | 0 | benzenes | |
caprolactam
Caprolactam: Cyclic amide of caproic acid used in manufacture of synthetic fibers of the polyamide type. Can cause local irritation.. epsilon-caprolactam : A member of the class of caprolactams that is azepane substituted by an oxo group at position 2. | 2.07 | 1 | 0 | caprolactams | human blood serum metabolite |
melamine
melamine: RN given refers to parent cpd; structure. melamine : A trimer of cyanamide, with a 1,3,5-triazine skeleton. | 8.18 | 5 | 0 | triamino-1,3,5-triazine | xenobiotic metabolite |
cyanuric acid
cyanuric acid: RN given refers to parent cpd. isocyanuric acid : The keto tautomer of cyanuric acid.. cyanuric acid : The enol tautomer of isocyanuric acid. | 2.06 | 1 | 0 | 1,3,5-triazinanes;
1,3,5-triazines;
heteroaryl hydroxy compound | xenobiotic |
ethylene urea
ethylene urea: used in manufacture of polymers, finishing agents for textiles & leather, in formulation of plasticizers, lacquers & adhesives; structure. imidazolidinone : An imidazolidine containing one or more oxo groups. | 2.06 | 1 | 0 | imidazolidinone;
ureas | |
thiazoles
[no description available] | 2.25 | 1 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
ammelide
ammelide: structure given in first source; RN given refers to parent cpd | 2.06 | 1 | 0 | dihydroxy-1,3,5-triazine;
monoamino-1,3,5-triazine | |
durapatite
Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH). | 2.08 | 1 | 0 | | |
nile blue
Nile Blue: RN given refers to chloride; structure. nile blue A : An organic chloride salt having 5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium as the couterion. fluorescent dye which is also a potent photosensitiser for photodynamic therapy. | 7.66 | 2 | 0 | | |
hexyl salicylate
hexyl salicylate: structure in first source | 2.07 | 1 | 0 | benzoate ester | |
silver
Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA. | 2.17 | 1 | 0 | copper group element atom;
elemental silver | Escherichia coli metabolite |
galactose
aldohexose : A hexose with a (potential) aldehyde group at one end. | 2.1 | 1 | 0 | | |
daunorubicin
Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola. | 2.02 | 1 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
pyranine
pyranine: structure | 7.25 | 1 | 0 | organic sodium salt | fluorochrome |
4-vinylphenol
4-vinylphenol: RN given refers to cpd with locants as specified. 4-hydroxystyrene : A member of the class of phenols that is styrene carrying a hydroxy substituent at position 4. | 2.1 | 1 | 0 | phenols | human urinary metabolite;
human xenobiotic metabolite |
urea formaldehyde foam
urea formaldehyde foam: widely used foam insulation | 2.46 | 2 | 0 | | |
disperse blue 124
Disperse Blue 124: RN given refers to cpd with unknown MF. Disperse Blue 124 : A monoazo compound consisting of diazene with a 5-nitrothiazol-2-yl group attached to one nitrogen and a substituted 4-aminophenyl group attached to the other; used as a dye standard for the assay of allergy-releasing dyes in textiles. | 2.21 | 1 | 0 | 1,3-thiazoles;
monoazo compound;
tertiary amine | allergen;
dye;
hapten |
coumarin 6
coumarin 6: structure in first source | 2.25 | 1 | 0 | 7-aminocoumarins | fluorochrome |
disperse blue 106
disperse blue 106: monoazo textile dye used on polyester blouses; no other info available 12/85 | 2.21 | 1 | 0 | | |
s(8)
[no description available] | 2.41 | 1 | 0 | | |
biotin
vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. | 2.06 | 1 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
n-acetylneuraminic acid
N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl. | 2.25 | 1 | 0 | N-acetylneuraminic acids | antioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite |
imidazolidines
[no description available] | 2.06 | 1 | 0 | azacycloalkane;
imidazolidines;
saturated organic heteromonocyclic parent | |
lead
Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb. | 2.11 | 1 | 0 | carbon group element atom;
elemental lead;
metal atom | neurotoxin |
sorbitan monooleate
[no description available] | 2.1 | 1 | 0 | fatty acid ester | |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 2.1 | 1 | 0 | glycoside | |
sodium borate
borax: see also sodium borate. borax : A hydrate that is the decahydrate form of disodium tetraborate. | 2.05 | 1 | 0 | | |
chitosan
[no description available] | 2.47 | 2 | 0 | | |
piperidines
Piperidines: A family of hexahydropyridines. | 2.41 | 1 | 0 | | |
salicylates
Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid. | 2.07 | 1 | 0 | monohydroxybenzoate | plant metabolite |
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 2.25 | 1 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
ammeline
ammeline: causes retinal degeneration | 2.06 | 1 | 0 | diamino-1,3,5-triazine;
monohydroxy-1,3,5-triazine | |