| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ethylene chlorohydrin
Ethylene Chlorohydrin: Used as a solvent, in the manufacture of insecticides, and for treating sweet potatoes before planting. May cause nausea, vomiting, pains in head and chest, stupefaction. Irritates mucous membranes and causes kidney and liver degeneration.. chloroethanol : An organochlorine compound that is ethanol substituted by at least one chloro group. | 1.98 | 1 | 0 | chloroethanol | xenobiotic metabolite |
catechol
[no description available] | 2.15 | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 2.15 | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
phenol
[no description available] | 1.98 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
1,2-dimethylhydrazine
1,2-Dimethylhydrazine: A DNA alkylating agent that has been shown to be a potent carcinogen and is widely used to induce colon tumors in experimental animals.. 1,2-dimethylhydrazine : A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice. | 7.08 | 1 | 0 | hydrazines | alkylating agent;
carcinogenic agent |
oxyquinoline
Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | 2.38 | 2 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
chloral hydrate
[no description available] | 7.04 | 1 | 0 | aldehyde hydrate;
ethanediol;
organochlorine compound | general anaesthetic;
mouse metabolite;
sedative;
xenobiotic |
fluorouracil
Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth. | 7.53 | 2 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
methyl methanesulfonate
[no description available] | 7.11 | 1 | 0 | methanesulfonate ester | alkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen |
mitomycin
Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae. | 1.98 | 1 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
thymidine
[no description available] | 1.97 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite |
aniline
[no description available] | 2.13 | 1 | 0 | anilines;
primary arylamine | |
dimethylnitrosamine
Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents. | 1.98 | 1 | 0 | nitrosamine | geroprotector;
mutagen |
cytarabine
[no description available] | 1.98 | 1 | 0 | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent |
isoprene
isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. | 1.96 | 1 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
1-nitronaphthalene
1-nitronaphthalene: RN given refers to cpd with locant for nitro moiety in 1 position. 1-nitronaphthalene : A mononitronaphthalene substituted by a nitro group at position 1.. mononitronaphthalene : A nitronaphthalene carrying a single nitro group at unspecified position.. nitronaphthalene : A nitroarene that is naphthalene substituted by at least one nitro group. | 2.03 | 1 | 0 | mononitronaphthalene | environmental contaminant;
mouse metabolite |
2-aminodiphenyl
aminobiphenyl : Any member of the class of biphenyls in which the biphenyl skeleton is substituted by at least one amino group. | 2.38 | 2 | 0 | | |
2,6-diisocyanatotoluene
2,6-diisocyanatotoluene: RN given refers to parent cpd. toluene 2,6-diisocyanate : A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring. | 2.91 | 4 | 0 | toluene meta-diisocyanate | allergen;
hapten |
2-methylindole
2-methylindole: SKATOLE refers to 3-methylindole; RN given refers to parent cpd; structure. 2-methyl-1H-indole : A methylindole that is 1H-indole substituted by a methyl group at position 2. | 2.15 | 1 | 0 | methylindole | |
2,5-diaminotoluene
2,5-diaminotoluene: RN given refers to parent cpd. 2-methyl-1,4-phenylenediamine : A diamine in which the two amino groups are substituted into toluene at the 2- and 5-positions. | 2.37 | 2 | 0 | diamine | allergen |
2,4-diaminotoluene
2,4-diaminotoluene: RN given refers to unlabeled parent cpd; structure. 2,4-diaminotoluene : An aminotoluene that is para-toluidine with an additional amino group at position 2. | 6.08 | 39 | 0 | aminotoluene | metabolite |
4,4'-diaminodiphenylmethane
4,4'-diaminodiphenylmethane: RN given refers to parent cpd; structure. 4,4'-diaminodiphenylmethane : An aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group. | 2.46 | 2 | 0 | aromatic amine | allergen;
carcinogenic agent |
3-hydroxypyridine
3-hydroxypyridine: RN given refeirs to parent cpd. 3-pyridinol : A monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoactive plant. | 2.15 | 1 | 0 | monohydroxypyridine | |
diethanolamine
diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent. | 2.02 | 1 | 0 | ethanolamines | human xenobiotic metabolite |
2,4-dinitrotoluene
2,4-dinitrotoluene : A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene. | 1.97 | 1 | 0 | dinitrotoluene | |
triethylenediamine
triethylenediamine: RN given refers to parent cpd. triethylenediamine : An organic heterobicylic compound that is piperazine with an ethane-1,2-diyl group forming a bridge between N1 and N4. It is typically used as a catalyst in polymerization reactions. | 2.02 | 1 | 0 | bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound | antioxidant;
catalyst;
reagent |
lumazine
lumazine: structure. 2,4-dihydroxypteridine : Any dihydroxypteridine in which the two hydroxy substituents are located at positions 2 and 4.. lumazine : A 2,4-dihydroxypteridine. | 2.15 | 1 | 0 | 2,4-dihydroxypteridine | |
3,4-toluenediamine
3,4-toluenediamine: structure | 1.96 | 1 | 0 | | |
phloretic acid
phloretic acid: structure. N-hydroxysuccinimide ester : An ester of N-hydroxysuccinimide.. phloretic acid : A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position. | 2.15 | 1 | 0 | hydroxy monocarboxylic acid | plant metabolite |
1,4-cyclohexanediol
[no description available] | 2.15 | 1 | 0 | | |
2-methoxybenzoic acid
O-methylsalicylic acid : A methoxybenzoic acid that is the methyl ether of salicylic acid. | 2.15 | 1 | 0 | methoxybenzoic acid | flavouring agent;
non-steroidal anti-inflammatory drug |
2-nitronaphthalene
2-nitronaphthalene : A mononitronaphthalene carrying a nitro group at position 2. | 2.03 | 1 | 0 | mononitronaphthalene | |
toluene 2,4-diisocyanate
Toluene 2,4-Diisocyanate: Skin irritant and allergen used in the manufacture of polyurethane foams and other elastomers.. toluene 2,4-diisocyanate : A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring. | 4 | 14 | 0 | toluene meta-diisocyanate | allergen;
hapten |
2,6-dinitrotoluene
2,6-dinitrotoluene: RN given refers to cpd with specified locants for nitrogen moieties. 2,6-dinitrotoluene : A dinitrotoluene carrying nitro substituents at positions 2 and 6. | 7.38 | 2 | 0 | dinitrotoluene | genotoxin |
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 1.99 | 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 |
2-aminobenzimidazole
2-aminobenzimidazole: metabolite of benomyl; RN given refers to parent cpd. 2-aminobenzimidazole : A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. | 2.15 | 1 | 0 | benzimidazoles | marine xenobiotic metabolite |
2-aminobenzyl alcohol
2-aminobenzyl alcohol: structure given in first source | 2.15 | 1 | 0 | | |
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. | 1.98 | 1 | 0 | titanium group element atom | |
cadmium
Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common. | 2.38 | 2 | 0 | cadmium molecular entity;
zinc group element atom | |
cadmium sulfate
cadmium sulfate: RN given refers to cpd with MF of Cd-H2SO4 | 2.38 | 2 | 0 | cadmium salt | |
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. | 1.98 | 1 | 0 | titanium oxides | food colouring |
chlorodiphenyl (54% chlorine)
Chlorodiphenyl (54% Chlorine): A mixture of polychlorinated biphenyls that induces hepatic microsomal UDP-glucuronyl transferase activity towards thyroxine.. Aroclor 1254 : A mixture of polychlorobiphenyls of unspecified composition, containing 54% chlorine (X = Cl or H). | 1.99 | 1 | 0 | | |
2-chlorobenzenesulfonamide
[no description available] | 2.15 | 1 | 0 | | |
cyanates
Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N). | 2.37 | 2 | 0 | | |
2-amino-4-methyl-3-nitropyridine
[no description available] | 2.15 | 1 | 0 | | |
sodium benzoate
Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. | 2.11 | 1 | 0 | organic sodium salt | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
thioacetamide
Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur. | 2.11 | 1 | 0 | thiocarboxamide | hepatotoxic agent |
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 1.98 | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
dinitrobenzenes
Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions. | 2.38 | 2 | 0 | | |
phosphorus radioisotopes
Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes. | 1.98 | 1 | 0 | | |