| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
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). | 2.41 | 1 | 0 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 2.31 | 1 | 0 | imidazole | |
iodine
Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge.. | 2.17 | 1 | 0 | diatomic iodine | nutrient |
phenylethyl alcohol
Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2. | 2.31 | 1 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
boranes
Boranes: The collective name for the boron hydrides, which are analogous to the alkanes and silanes. Numerous boranes are known. Some have high calorific values and are used in high-energy fuels. (From Grant & Hackh's Chemical Dictionary, 5th ed). borane : The simplest borane, consisting of a single boron atom carrying three hydrogens.. boranes : The molecular hydrides of boron. | 2.17 | 1 | 0 | boranes;
mononuclear parent hydride | |
ethylene oxide
Ethylene Oxide: A colorless and flammable gas at room temperature and pressure. Ethylene oxide is a bactericidal, fungicidal, and sporicidal disinfectant. It is effective against most micro-organisms, including viruses. It is used as a fumigant for foodstuffs and textiles and as an agent for the gaseous sterilization of heat-labile pharmaceutical and surgical materials. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p794). oxirane : A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. | 2.21 | 1 | 0 | gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent | allergen;
mouse metabolite;
mutagen |
2-xylene
2-xylene: RN given refers to parent cpd. o-xylene : A xylene substituted by methyl groups at positions 1 and 2. | 2.15 | 1 | 0 | xylene | |
styrene oxide
styrene oxide: structure. styrene oxide : An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group. | 2.21 | 1 | 0 | epoxide | human xenobiotic metabolite |
acrolein
[no description available] | 7.15 | 1 | 0 | enal | herbicide;
human xenobiotic metabolite;
toxin |
cyclohexanone
[no description available] | 2.21 | 1 | 0 | cyclohexanones | human xenobiotic metabolite |
indazoles
Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES. | 7.17 | 1 | 0 | indazole | |
cyclohexene oxide
cyclohexene oxide: inhibitor of epoxide hydrase; structure | 2.21 | 1 | 0 | | |
cyclopentane
Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 2.17 | 1 | 0 | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent |
glycidol
glycidol: structure given in first source | 7.21 | 1 | 0 | epoxide;
primary alcohol | |
tridecane
tridecane : A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. | 7.15 | 1 | 0 | long-chain alkane | plant metabolite;
volatile oil component |
ruthenium
Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM. | 2.13 | 1 | 0 | iron group element atom;
platinum group metal atom | |
samarium
Samarium: An element of the rare earth family of metals. It has the atomic symbol Sm, atomic number 62, and atomic weight 150.36. The oxide is used in the control rods of some nuclear reactors. | 2.41 | 1 | 0 | f-block element atom;
lanthanoid atom | |
tiletamine hydrochloride
Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof. | 2.21 | 1 | 0 | | |
iodine
[no description available] | 2.41 | 1 | 0 | halide anion;
monoatomic iodine | human metabolite |
benzeneboronic acid
[no description available] | 2.82 | 2 | 0 | boronic acids | |
hydroxyaniline mustard
hydroxyaniline mustard: structure; RN given refers to parent cpd | 2.1 | 1 | 0 | | |
cyclopropanol
[no description available] | 2.21 | 1 | 0 | aliphatic alcohol;
cyclopropanes | |
sperm motility inhibitor 2
[no description available] | 2.41 | 1 | 0 | | |
topsentin a
topsentin A: number of carbony group = 1 for topsentin A and no carbonyl group for nortopsentin B and D; structure in first source | 2.31 | 1 | 0 | | |
caffeic acid phenethyl ester
phenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. | 7.31 | 1 | 0 | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent |
boron
Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY. | 7.6 | 1 | 0 | boron group element atom;
metalloid atom;
nonmetal atom | micronutrient |
chitosan
[no description available] | 7.25 | 1 | 0 | | |
humulin s
Insulin, Regular, Human: Regular insulin preparations that contain the HUMAN insulin peptide sequence.. insulin (human) : An insulin that is produced in the pancreas and involved in regulating the metabolism of carbohydrates (particularly glucose) and fats. Commonly thought of as a protein, it consists of two peptide chains, one containing 21 amino acid residues and the other containing 30; the chains are joined together by 2 disulfide bonds. Recombinant insulin is identical to human insulin, but is synthesised by inserting the human insulin gene into E. coli, which then produces insulin for human use. It is used in the treatment of type I and type II diabetes. | 2.41 | 1 | 0 | | |
phenanthrenes
Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. | 2.17 | 1 | 0 | | |