| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
4-hydroxybenzaldehyde
[no description available] | 2.02 | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
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. | 3.21 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
benzaldehyde
[no description available] | 2.07 | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite |
bromide
Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) | 2 | 1 | 0 | halide anion;
monoatomic bromine | |
catechol
[no description available] | 3.14 | 5 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 2.06 | 1 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
hydrochloric acid
Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. | 2.13 | 1 | 0 | chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride | mouse metabolite |
4-vinylguaiacol
2-methoxy-4-vinylphenol: a germination inhibitor; also an odorant in green tea; structure in first source. 2-methoxy-4-vinylphenol : A member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group. | 2.07 | 1 | 0 | phenols | flavouring agent;
pheromone;
plant metabolite |
2-cresol
2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. | 2.02 | 1 | 0 | cresol | human xenobiotic metabolite |
3-cresol
3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. | 2.02 | 1 | 0 | cresol | human xenobiotic metabolite |
guaiacol
Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. | 5.65 | 23 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant 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. | 2.06 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
hydroquinone
[no description available] | 2.02 | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
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. | 2.11 | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
nitrites
Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed) | 2.41 | 2 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | human metabolite |
4-aminobenzoic acid
4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group. | 2.08 | 1 | 0 | aminobenzoic acid;
aromatic amino-acid zwitterion | allergen;
Escherichia coli metabolite;
plant metabolite |
4-nitrophenol
4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. | 2.02 | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
pentachlorophenol
PENTA: structure given in first source | 1.97 | 1 | 0 | aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes | human xenobiotic metabolite |
phenol
[no description available] | 3.11 | 5 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
pyrogallol
benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | 9.13 | 78 | 1 | benzenetriol;
phenolic donor | plant metabolite |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.07 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
vanillin
Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | 2.51 | 2 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
mercaptoethanol
Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation. | 2.1 | 1 | 0 | alkanethiol;
primary alcohol | geroprotector |
4-nonylphenol
4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group. | 2.02 | 1 | 0 | phenols | environmental contaminant |
acetaminophen
Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | 2.02 | 1 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
acetovanillone
apocynin : An aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. | 2.44 | 2 | 0 | acetophenones;
aromatic ketone;
methyl ketone | antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite |
4-cresol
4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. | 2.02 | 1 | 0 | cresol | Escherichia coli metabolite;
human metabolite;
uremic toxin |
4-chlorophenol
4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom. | 2.02 | 1 | 0 | monochlorophenol | |
propofol
Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. | 2.7 | 3 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
resorcinol
resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3. | 2.02 | 1 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
salicyl alcohol
salicyl alcohol: RN given refers to parent cpd; saligenin is the aglycone of salicin; structure; it is oxidatively metabolized to gentisic acid. salicyl alcohol : A hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. | 2.02 | 1 | 0 | aromatic primary alcohol;
hydroxybenzyl alcohol | human urinary metabolite |
tyramine
[no description available] | 2.13 | 1 | 0 | monoamine molecular messenger;
primary amino compound;
tyramines | EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter |
2-aminophenol
[no description available] | 2.02 | 1 | 0 | aminophenol | bacterial metabolite |
2,3,4,6-tetrachlorophenol
2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. | 1.97 | 1 | 0 | tetrachlorophenol | xenobiotic metabolite |
n-nitrosomorpholine
N-nitrosomorpholine : A nitrosamine that is morpholine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. A carcinogen and mutagen, it is found in snuff tobacco. | 1.96 | 1 | 0 | nitrosamine | carcinogenic agent;
mutagen |
levodopa
Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease | 2.05 | 1 | 0 | amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug |
tyrosine
Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. | 2.07 | 1 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
asparagine
Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group. | 2.07 | 1 | 0 | amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
arginine
Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. | 2.43 | 2 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
azobis(isobutyronitrile)
azobis(isobutyronitrile): blowing agent for elastomers & plastics; initiator for free radical reactions; structure | 2.03 | 1 | 0 | | |
bisphenol a
4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. | 2.44 | 2 | 0 | bisphenol | endocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen |
methylmethacrylate
Methylmethacrylate: The methyl ester of methacrylic acid. It polymerizes easily to form POLYMETHYL METHACRYLATE. It is used as a bone cement.. methyl methacrylate : An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component. | 2.03 | 1 | 0 | enoate ester;
methyl ester | allergen;
polymerisation monomer |
fluorene
[no description available] | 2.08 | 1 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon | |
2-tert-butylphenol
[no description available] | 2.02 | 1 | 0 | alkylbenzene | |
2,6-di-tert-butyl-4-hydroxymethylphenol
2,6-di-tert-butyl-4-hydroxymethylphenol: structure given in first source | 2.02 | 1 | 0 | alkylbenzene | |
2-isopropylphenol
2-isopropylphenol: structure given in first source. 2-isopropylphenol : A member of the class of phenols carrying an isopropyl group at position 2. | 2.42 | 2 | 0 | phenols | |
2-nitrophenol
nitrophenol : Any member of the class of phenols or substituted phenols carrying at least 1 nitro group. | 2.02 | 1 | 0 | 2-nitrophenols | |
thymol
Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene. | 2.11 | 1 | 0 | monoterpenoid;
phenols | volatile oil component |
2-ethylphenol
2-ethylphenol: structure in first source | 2.02 | 1 | 0 | phenols | |
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. | 2.03 | 1 | 0 | benzyl alcohols;
dimethoxybenzene;
primary alcohol | fungal metabolite |
creosol
[no description available] | 3.18 | 5 | 0 | methoxybenzenes;
phenols | |
benzoyl peroxide
Benzoyl Peroxide: A peroxide derivative that has been used topically for BURNS and as a dermatologic agent in the treatment of ACNE and POISON IVY DERMATITIS. It is used also as a bleach in the food industry. | 2.03 | 1 | 0 | carbonyl compound | |
2-bromophenol
bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms. | 2.02 | 1 | 0 | bromophenol | marine metabolite |
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2.02 | 1 | 0 | 2-halophenol;
monochlorophenol | |
2-amino-4-methylphenol
2-amino-4-methylphenol: structure in first source | 2.02 | 1 | 0 | | |
2,4-di-tert-butylphenol
2,4-di-tert-butylphenol: structure given in first source. 2,4-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4. | 2.42 | 2 | 0 | alkylbenzene;
phenols | antioxidant;
bacterial metabolite;
marine metabolite |
furaldehyde
Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. | 2.52 | 2 | 0 | aldehyde;
furans | Maillard reaction product;
metabolite |
butylphen
butylphen: irritant; structure. 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4. | 2.02 | 1 | 0 | phenols | allergen |
3-dimethylaminophenol
[no description available] | 2.02 | 1 | 0 | | |
4-hydroxyacetophenone
4-hydroxyacetophenone: promotes secretion of bile & bile salts, which promotes griseofulvin absorption in the duodenum. 4'-hydroxyacetophenone : A monohydroxyacetophenone carrying a hydroxy substituent at position 4'. | 2.02 | 1 | 0 | monohydroxyacetophenone | fungal metabolite;
mouse metabolite;
plant metabolite |
4-anisidine
4-anisidine: RN given refers to parent cpd. p-anisidine : A substituted aniline that is aniline in which the hydrogen para to the amino group has been replaced by a methoxy group. It is used as a reagent for the detection of oxidation products such as aldehydes and ketones in fats and oils. | 2.02 | 1 | 0 | methoxybenzenes;
primary amino compound;
substituted aniline | genotoxin;
reagent |
2,4-dimethylphenol
2,4-dimethylphenol: RN given refers to parent cpd. 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4. | 2.02 | 1 | 0 | aromatic fungicide;
phenols | disinfectant;
volatile oil component |
4-bromophenol
4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another. | 2.02 | 1 | 0 | bromophenol | human urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite |
4-phenylenediamine
4-phenylenediamine: agent hair dye responsible for contact dermatitis; RN given refers to parent cpd. 1,4-phenylenediamine : A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. | 2 | 1 | 0 | phenylenediamine | allergen;
dye;
hapten;
reagent |
3-chlorophenol
3-chlorophenol : A monochlorophenol carrying the chloro substituent at position 3. | 2.02 | 1 | 0 | monochlorophenol | |
morpholine
[no description available] | 1.96 | 1 | 0 | morpholines;
saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
2-tolidine
2-tolidine: RN given refers to parent cpd; structure | 2.02 | 1 | 0 | biphenyls | |
anthracene
acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. | 2.08 | 1 | 0 | acene;
anthracenes;
ortho-fused tricyclic hydrocarbon | |
syringaldehyde
syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. syringaldehyde : A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity. | 2.48 | 2 | 0 | dimethoxybenzene;
hydroxybenzaldehyde | hypoglycemic agent;
plant metabolite |
ditiocarb
Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur. | 2 | 1 | 0 | dithiocarbamic acids | chelator;
copper chelator |
3-hydroxyanisole
3-hydroxyanisole: structure in first source. 3-methoxyphenol : A member of the class of phenols that is phenol having a methoxy-substituent at the 3-position. | 2.02 | 1 | 0 | monomethoxybenzene;
phenols | |
mequinol
mequinol: depigmenting agent; RN given refers to parent cpd | 2.02 | 1 | 0 | methoxybenzenes;
phenols | metabolite |
thiazoles
[no description available] | 2.05 | 1 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
hydrazine
diamine : Any polyamine that contains two amino groups. | 2.03 | 1 | 0 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
2-fluorophenol
fluorophenol : A halophenol that is any phenol containing one or more covalently bonded fluorine atoms. | 2.02 | 1 | 0 | | |
4-fluorophenol
4-fluorophenol: structure given in first source. 4-fluorophenol : A fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine. | 2.02 | 1 | 0 | fluorophenol;
monofluorobenzenes | |
3-fluorophenol
3-fluorophenol: structure in first source | 2.02 | 1 | 0 | | |
4-methylcatechol
[no description available] | 2.02 | 1 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
topanol 354
Topanol 354: structure | 2.02 | 1 | 0 | methoxybenzenes;
phenols | |
2,4,6-trimethylphenol
[no description available] | 2.02 | 1 | 0 | hydroxytoluene | |
2-iodophenol
[no description available] | 2.02 | 1 | 0 | 2-halophenol;
iodophenol | |
4-iodophenol
[no description available] | 2.02 | 1 | 0 | iodophenol | |
3-nitrophenol
[no description available] | 2.02 | 1 | 0 | 3-nitrophenols | |
2,6-xylenol
[no description available] | 2.42 | 2 | 0 | hydroxytoluene | |
3-bromophenol
[no description available] | 2.02 | 1 | 0 | | |
3-aminophenol
3-aminophenol: RN given refers to parent cpd. 3-aminophenol : An aminophenol that is one of three amino derivatives of phenol which has the single amino substituent located meta to the phenolic -OH group. | 2.02 | 1 | 0 | aminophenol | |
2,6-dibromophenol
2,6-dibromophenol : A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines. | 2.01 | 1 | 0 | bromohydrocarbon;
dibromophenol | marine metabolite |
2-cyanophenol
2-cyanophenol: structure in first source | 2.02 | 1 | 0 | benzenes;
nitrile | |
3-ethylphenol
[no description available] | 2.02 | 1 | 0 | phenols | |
3-hydroxyacetanilide
metacetamol : A derivative of phenol which has an acetamido substituent located meta to the phenolic -OH group. It is a non-toxic regioisomer of paracetamol with analgesic properties, but has never been marketed as a drug. | 2.02 | 1 | 0 | acetamides;
phenols | non-narcotic analgesic |
4-Ethoxyphenol
[no description available] | 2.02 | 1 | 0 | aromatic ether;
phenols | |
c.i. 42510
Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin. | 2.13 | 1 | 0 | | |
2-propylphenol
2-propylphenol : A member of the class of phenols that is phenol which is substituted by a propyl group at position 2. | 2.02 | 1 | 0 | phenols | flavouring agent;
plant metabolite |
4-propylphenol
4-propylphenol: structure given in first source | 2.02 | 1 | 0 | alkylbenzene | |
2,4,6-tri-tert-butylphenol
[no description available] | 2.02 | 1 | 0 | | |
4-cyanophenol
4-cyanophenol: reversible monoamine oxidase inhibitor | 2.02 | 1 | 0 | phenols | EC 1.4.3.4 (monoamine oxidase) inhibitor |
4-phenoxyphenol
[no description available] | 2.02 | 1 | 0 | phenoxyphenol | |
4-n-Butylphenol
[no description available] | 2.02 | 1 | 0 | phenols | |
4-octylphenol
4-octylphenol: xenoestrogen. 4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. | 2.02 | 1 | 0 | phenols | metabolite;
surfactant;
xenoestrogen |
pentachloroanisole
[no description available] | 1.97 | 1 | 0 | | |
ethyl violet
ethyl violet: RN given refers to parent cpd. ethyl violet : An organic chloride salt that is the monochloride salt of ethyl violet cation. Used for inclusion in mixed dye solutions of the iron resorcin fuchsin type for demonstrating elastic fibres. | 2.13 | 1 | 0 | organic chloride salt | fluorochrome;
histological dye |
2-tert-butyl-4-methylphenol
2-tert-butyl-4-methylphenol: RN given refers to cpd with locants | 2.02 | 1 | 0 | | |
acetosyringone
acetosyringone: plant inducer which induces expression of VirE & VirG in A. tumefaciens. acetosyringone : A member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. | 2.46 | 2 | 0 | acetophenones;
dimethoxybenzene;
phenols | anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite |
victoria blue b
victoria blue: no other info available 7/84. victoria blue B : An iminium salt composed of 4-{(4-anilinonaphthalen-1-yl)[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium and chloride ions in a 1:1 ratio. It binds to nucleic acids and can be used in standardised staining techniques suitable for automated cell-pattern recognition. | 2.13 | 1 | 0 | iminium salt;
organic chloride salt | fluorochrome;
histological dye |
c.i. direct blue 1
[no description available] | 2.02 | 1 | 0 | | |
dithiothreitol
1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. | 2.44 | 2 | 0 | 1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol | chelator;
human metabolite;
reducing agent |
manganese
Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4. | 3.27 | 6 | 0 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
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 | 1 | 0 | cadmium molecular entity;
zinc group element atom | |
gold
Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts. | 2.1 | 1 | 0 | copper group element atom;
elemental gold | |
cupric chloride
cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state. | 2 | 1 | 0 | copper molecular entity;
inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
butylated hydroxyanisole
[no description available] | 2.02 | 1 | 0 | | |
ozone
Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. | 2.21 | 1 | 0 | elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen | antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer |
4-n-Pentylphenol
[no description available] | 2.02 | 1 | 0 | phenols | |
fluorides
[no description available] | 2.05 | 1 | 0 | halide anion;
monoatomic fluorine | |
4-ethylphenol
4-ethylphenol: RN given refers to parent cpd. 4-ethylphenol : A member of the class of phenols carrying an ethyl substituent at position 4. | 2.79 | 3 | 0 | phenols | fungal xenobiotic metabolite |
butylated hydroxytoluene
2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. | 2.02 | 1 | 0 | phenols | antioxidant;
ferroptosis inhibitor;
food additive;
geroprotector |
2,6-di-tert-butylphenol
2,6-di-tert-butylphenol: RN given refers to parent cpd. 2,6-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6. | 2.42 | 2 | 0 | alkylbenzene;
phenols | antioxidant |
alkenes
[no description available] | 2.15 | 1 | 0 | | |
sodium azide
Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid). | 2.97 | 4 | 0 | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen |
4-ethylguaiacol
4-ethylguaiacol: a constituent of wood creosote; suppresses intestinal smooth muscle contraction | 2.61 | 2 | 0 | methoxybenzenes;
phenols | |
4-hydroxybenzamide
[no description available] | 2.02 | 1 | 0 | | |
guaethol
[no description available] | 2.02 | 1 | 0 | aromatic ether;
phenols;
volatile organic compound | flavouring agent |
2,6-di-tert-butyl-4-nitrophenol
2,6-di-tert-butyl-4-nitrophenol: has been reported as a potential contaminant in submarines | 2.02 | 1 | 0 | | |
3,5-di-tert-butyl-4-hydroxybenzaldehyde
3,5-di-tert-butyl-4-hydroxybenzaldehyde: structure in first source | 2.02 | 1 | 0 | hydroxybenzaldehyde | |
phenoxy radical
phenoxy radical : An organic radical generated from phenol. | 2.02 | 1 | 0 | organic radical | |
lignin
Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure. | 5.32 | 16 | 0 | | |
equilenin
Equilenin: An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares.. equilenin : A 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women. | 2.02 | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid | antioxidant;
mammalian metabolite |
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.15 | 1 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
cocaine
Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. | 2.06 | 1 | 0 | benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid | adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
diethylstilbestrol
Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. | 2.02 | 1 | 0 | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen |
sodium thiocyanate
sodium thiocyanate: RN given refers to thiocyanic acid, Na salt. sodium thiocyanate : An organic sodium salt which is the monosodium salt of thiocyanic acid. | 1.96 | 1 | 0 | organic sodium salt | |
isoeugenol
trans-isoeugenol : The trans-stereoisomer of isoeugenol. | 2.03 | 1 | 0 | isoeugenol | plant metabolite |
1,1-diphenyl-2-picrylhydrazyl
1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974) | 2.03 | 1 | 0 | | |
laccase
Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products. | 4.79 | 30 | 0 | | |
nitrogen dioxide
Nitrogen Dioxide: Nitrogen oxide (NO2). A highly poisonous gas. Exposure produces inflammation of lungs that may only cause slight pain or pass unnoticed, but resulting edema several days later may cause death. (From Merck, 11th ed) It is a major atmospheric pollutant that is able to absorb UV light that does not reach the earth's surface. | 2.02 | 1 | 0 | nitrogen oxide | |
sodium dodecyl sulfate
Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate. | 2.02 | 1 | 0 | organic sodium salt | detergent;
protein denaturant |
2-amino-4-nitrophenol
[no description available] | 2.02 | 1 | 0 | 4-nitrophenols | |
quercetin
[no description available] | 2.15 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
sinapaldehyde
sinapyl aldehyde: structure in first source. (E)-sinapaldehyde : A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. | 2.02 | 1 | 0 | cinnamaldehydes;
dimethoxybenzene;
phenols | antifungal agent;
plant metabolite |
beta-damascenone
beta-damascenone: from Ipomoea pes-caprea; RN given refers to cpd without isomeric designation; RN 23726-93-4 refers to beta-damascenone; structure given in first source. beta-damascenone : A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. | 2.15 | 1 | 0 | apo carotenoid monoterpenoid;
cyclic monoterpene ketone;
enone | fragrance;
plant metabolite;
volatile oil component |
cysteine
Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. | 2.68 | 3 | 0 | cysteinium | fundamental metabolite |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source | 4.13 | 15 | 0 | | |
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. | 1.98 | 1 | 0 | | |
mocetinostat
mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). | 2.47 | 2 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
4-iodo-2,6-diisopropylphenol
4-iodo-2,6-diisopropylphenol: structure in first source | 2.01 | 1 | 0 | | |
cytochrome c-t
Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV. | 2.1 | 1 | 0 | | |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 3.59 | 2 | 0 | glycoside | |
sodium hypochlorite
Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach. | 2.03 | 1 | 0 | inorganic sodium salt | bleaching agent;
disinfectant |
docusate sodium
[no description available] | 2.1 | 1 | 0 | organic sodium salt | |
heme
Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron. | 2.79 | 3 | 0 | | |
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. | 2.71 | 3 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
brine
brine: not from seawater; contains sodium chloride; calcium chloride; magnesium chloride; one or all of the above | 2.13 | 1 | 0 | | |
syringaldazine
syringaldazine: used for detection of laccase in sporophores of wood rotting fungi; structure | 3.65 | 9 | 0 | | |
trypan blue
Trypan Blue: A diazo-naphthalene sulfonate that is widely used as a stain.. trypan blue : An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid). | 2.02 | 1 | 0 | | |