| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
3-hydroxykynurenine
3-hydroxykynurenine: RN given refers to cpd without isomeric designation. 3-hydroxykynurenine : A hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3.. hydroxykynurenine : A hydroxy-amino acid that is kynurenine substituted by a single hydroxy group at unspecified position. A "closed" class. | 2.06 | 1 | 0 | hydroxykynurenine | human metabolite |
gamma-aminobutyric acid
gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. | 2.38 | 2 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
anthranilic acid
anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565. anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system. | 2.65 | 3 | 0 | aminobenzoic acid | human metabolite;
mouse metabolite |
benzaldehyde
[no description available] | 7.81 | 3 | 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 |
carbon monoxide
Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. | 2.05 | 1 | 0 | carbon oxide;
gas molecular entity;
one-carbon compound | biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent |
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. | 2.15 | 1 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
glycine
[no description available] | 1.98 | 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 |
indole
[no description available] | 1.98 | 1 | 0 | indole;
polycyclic heteroarene | Escherichia coli metabolite |
kynurenine
Kynurenine: A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.. kynurenine : A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group. | 2.06 | 1 | 0 | aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline | human metabolite |
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. | 2.02 | 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 |
nitric acid
Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed). nitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms. | 2.08 | 1 | 0 | nitrogen oxoacid | protic solvent;
reagent |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies. | 2 | 1 | 0 | non-proteinogenic alpha-amino acid | |
2,4-dinitrophenol
2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed). dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.. 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions. | 2.38 | 2 | 0 | dinitrophenol | allergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor |
benzocaine
Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.. benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina. | 2.08 | 1 | 0 | benzoate ester;
substituted aniline | allergen;
antipruritic drug;
sensitiser;
topical anaesthetic |
caffeine
[no description available] | 2.15 | 1 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
clotrimazole
[no description available] | 2.41 | 1 | 0 | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic |
methyl salicylate
methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid. | 2.43 | 2 | 0 | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite |
potassium chloride
Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion. | 2 | 1 | 0 | inorganic chloride;
inorganic potassium salt;
potassium salt | fertilizer |
propranolol
Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. | 1.97 | 1 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
corticosterone
[no description available] | 1.98 | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
allyl isothiocyanate
allyl isothiocyanate: used in the manufacture of flavors, war gases; medical use as a counterirritant; structure. allyl isothiocyanate : An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi. | 2.15 | 1 | 0 | alkenyl isothiocyanate;
isothiocyanate | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite |
adenosine diphosphate
Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position. | 3.1 | 1 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate | fundamental metabolite;
human metabolite |
carbostyril
Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2. | 2 | 1 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
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. | 2.5 | 2 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
4-toluenesulfonic acid
4-toluenesulfonic acid: RN given refers to parent cpd; other RNs in 9th CI Form Index. toluene-4-sulfonic acid : An arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group. | 2.08 | 1 | 0 | arenesulfonic acid;
toluenes | |
aniline
[no description available] | 2.47 | 2 | 0 | anilines;
primary arylamine | |
chloroform
Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. | 2.03 | 1 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
tryptophan
Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. | 1.98 | 1 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
linalool
linalool: RN given refers to parent cpd without isomeric designation; structure. linalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. | 2.47 | 2 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
9,10-anthraquinone
9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls. | 2.08 | 1 | 0 | anthraquinone | |
diethyl phthalate
diethyl phthalate: structure. diethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid. | 2.08 | 1 | 0 | diester;
ethyl ester;
phthalate ester | neurotoxin;
plasticiser;
teratogenic agent |
Ethyl 2-aminobenzoate
[no description available] | 2.03 | 1 | 0 | benzoate ester | |
salicylaldehyde
o-hydroxybenzaldehyde: structure in first source | 2.03 | 1 | 0 | hydroxybenzaldehyde | nematicide;
plant metabolite |
methyl benzoate
methyl benzoate : A benzoate ester obtained by condensation of benzoic acid and methanol. | 2.03 | 1 | 0 | benzoate ester;
methyl ester | insect attractant;
metabolite |
ethyl benzoate
ethyl benzoate : A benzoate ester obtained by condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil. | 2.03 | 1 | 0 | benzoate ester;
ethyl ester | flavouring agent;
fragrance;
volatile oil component |
4-butyrolactone
4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 2.25 | 1 | 0 | butan-4-olide | metabolite;
neurotoxin |
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 | 1 | 0 | aldehyde;
furans | Maillard reaction product;
metabolite |
4-cyanopyridine
4-cyanopyridine: spectroscopic probe for cytochrome P450 BM3 | 2.03 | 1 | 0 | | |
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. | 2.48 | 2 | 0 | pyrrole;
secondary amine | |
lauric acid methyl ester
methyl laurate : A fatty acid methyl ester of lauric acid. | 2.08 | 1 | 0 | dodecanoate ester;
fatty acid methyl ester | metabolite |
ethyl salicylate
ethyl salicylate: causes erythema after topical application as an aerosol; found in blood | 2.03 | 1 | 0 | hydroxybenzoic acid | |
maltol
maltol: found in bark of young larch trees; isolated from Passiflora incarnata; possesses depressant properties in mice; potentiates hexobarbital-induced narcosis & inhibits spontaneous motor activity; structure | 2.15 | 1 | 0 | 4-pyranones | metabolite |
dimethyl phthalate
dimethyl phthalate: used as plasticizer in computer mouse; structure | 2.08 | 1 | 0 | diester;
methyl ester;
phthalate ester | |
yohimbine
Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.. yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina. | 1.97 | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist |
catechin
Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | 2.31 | 1 | 0 | catechin | antioxidant;
plant metabolite |
carvacrol
carvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). | 2.15 | 1 | 0 | botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols | agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component |
phenacylamine
phenacylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6990 | 2.46 | 2 | 0 | aromatic ketone | |
decan-4-olide
gamma-decalactone : A gamma-lactone that is oxolan-2-one substituted by a hexyl group at position 5. | 2.08 | 1 | 0 | gamma-lactone;
tetrahydrofuranone | anticonvulsant;
flavouring agent;
food additive |
4-acetylpyridine
[no description available] | 2.03 | 1 | 0 | | |
ethyl isonicotinate
ethyl isonicotinate: structure in first source | 2.03 | 1 | 0 | | |
furaneol
furaneol: RN given refers to compound with no isomeric designation. 4-hydroxy-2,5-dimethylfuran-3-one : A member of the class of furans that is 2,5-dimethylfuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively. It has been found particularly in strawberries and other such fruits. | 2.46 | 2 | 0 | cyclic ketone;
enol;
furans | flavouring agent;
fragrance;
plant metabolite |
denatonium benzoate
[no description available] | 7 | 1 | 0 | | |
n-methylaspartate
N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration. | 2 | 1 | 0 | amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound | neurotransmitter agent |
palladium
Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46. | 2.05 | 1 | 0 | metal allergen;
nickel group element atom;
platinum group metal atom | |
4-anisaldehyde
4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. | 2.03 | 1 | 0 | benzaldehydes | bacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite |
glutamic acid
Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. | 2.39 | 2 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
ethylnicotinate
[no description available] | 2.03 | 1 | 0 | aromatic carboxylic acid;
pyridines | |
enkephalin, d-penicillamine (2,5)-
Enkephalin, D-Penicillamine (2,5)-: A disulfide opioid pentapeptide that selectively binds to the DELTA OPIOID RECEPTOR. It possesses antinociceptive activity.. DPDPE : A heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond. | 1.98 | 1 | 0 | heterodetic cyclic peptide | delta-opioid receptor agonist |
3'-anthraniloyl-2'-deoxy-atp
[no description available] | 2 | 1 | 0 | | |
5-hydroxymethylfurfural
5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. | 2 | 1 | 0 | arenecarbaldehyde;
furans;
primary alcohol | indicator;
Maillard reaction product |
anisomycin
Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.. (-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. | 1.98 | 1 | 0 | monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor |
ouabain
Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. | 1.97 | 1 | 0 | 11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone | anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite |
pulegone
pulegone: component of peppermint oil; RN given refers to cpd without isomeric designation; structure in Merck. (+)-pulegone : The (5R)-enantiomer of p-menth-4(8)-en-3-one. | 2.08 | 1 | 0 | p-menth-4(8)-en-3-one | |
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 2.05 | 1 | 0 | cyclodextrin | |
enkephalin, leucine
Enkephalin, Leucine: One of the endogenous pentapeptides with morphine-like activity. It differs from MET-ENKEPHALIN in the LEUCINE at position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.. Leu-enkephalin : A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties. | 1.98 | 1 | 0 | pentapeptide;
peptide zwitterion | analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite |
geraniol
[no description available] | 2.31 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
beta-ionone
beta-ionone: stimulator of carotenogenesis; carotenoid inhibitor; intermediate in synthesis of Vit A; RN given refers to cpd without isomeric designation; structure. beta-ionone : An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. | 2.03 | 1 | 0 | ionone | antioxidant;
fragrance |
capsaicin
ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers. | 7.02 | 1 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
Jasmone
jasmone: RN refers to (Z)-isomer; structure given in first source | 2.03 | 1 | 0 | cyclic ketone | |
homoserine lactone
homoserine lactone: a putative signal for starvation in E. coli; structure in first source. homoserinium lactone : The conjugate acid of homoserine lactone; major species at pH 7.3.. homoserine lactone : A butan-4-olide having an amino substituent at the 2-position. | 2.25 | 1 | 0 | ammonium ion derivative;
organic cation | |
isoselenocyanic acid
[no description available] | 2.41 | 1 | 0 | hydracid;
one-carbon compound | |
cinnamamide
cinnamamide: structure in first source. cinnamamide : The simplest member of the class of cinnamamides that consists of acrylamide bearing a phenyl substituent at the 3-position.. trans-cinnamamide : The E (trans) isomer of cinnamamide. | 2 | 1 | 0 | cinnamamide | |
genistein
[no description available] | 2.31 | 1 | 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 |
alpha-ionone
alpha-ionone: RN given refers to cpd without isomeric designation; structure | 2.03 | 1 | 0 | enone;
ionone;
methyl ketone | |
MeJA
[no description available] | 2.03 | 1 | 0 | Jasmonate derivatives | |
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 | 2.41 | 1 | 0 | | |
sibiromycin
[no description available] | 2.06 | 1 | 0 | aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine | antineoplastic agent;
bacterial metabolite |
vx-770
ivacaftor: a CFTR potentiator; structure in first source. ivacaftor : An aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis. | 2.31 | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone | CFTR potentiator;
orphan drug |
sodium glutamate
Sodium Glutamate: One of the FLAVORING AGENTS used to impart a meat-like flavor.. monosodium glutamate : An organic sodium salt that is the monosodium salt of glutamic acid. | 1.97 | 1 | 0 | monosodium glutamate | flavouring agent |
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. | 2.02 | 1 | 0 | monohydroxybenzoate | plant metabolite |
bromfenacoum
[no description available] | 2 | 1 | 0 | benzenes;
naphthalenes;
ring assembly | |
guanosine diphosphate
Guanosine Diphosphate: A guanine nucleotide containing two phosphate groups esterified to the sugar moiety. | 3.1 | 1 | 0 | guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor |
guanosine triphosphate
Guanosine Triphosphate: Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety. | 3.1 | 1 | 0 | guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor |
4-hydroxyquinazoline
4-oxo-3,4-dihydroquinazoline: structure in first source | 2.41 | 1 | 0 | quinazolines | |