| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
adenine
[no description available] | 2.02 | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
benzene
[no description available] | 1.99 | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 1.94 | 1 | 0 | benzoic acids | 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 |
glycerol
Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil. | 2 | 1 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
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. | 6.94 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
palmitic acid
Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid. | 2.25 | 1 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite |
1,2-dioctanoylglycerol
1,2-dioctanoylglycerol: functions as bioregulator of protein kinase C in human platelets | 1.99 | 1 | 0 | | |
1-anilino-8-naphthalenesulfonate
1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | 2 | 1 | 0 | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine: A dopaminergic neurotoxic compound which produces irreversible clinical, chemical, and pathological alterations that mimic those found in Parkinson disease.. 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine : A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4. | 2.25 | 1 | 0 | methylpyridines;
phenylpyridine;
tetrahydropyridine | neurotoxin |
1-methylimidazole
1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position. | 2 | 1 | 0 | imidazoles | |
benzyl benzoate
benzyl benzoate: structure; acarosan, a moist powder composed of wetted cellulose and benzyl benzoate, is used on carpets as an acaricide. benzyl benzoate : A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. | 2.6 | 1 | 0 | benzoate ester;
benzyl ester | acaricide;
plant metabolite;
scabicide |
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 2.25 | 1 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
uridine
[no description available] | 6.94 | 1 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
galactose
galactopyranose : The pyranose form of galactose. | 2.31 | 1 | 0 | D-galactose;
galactopyranose | Escherichia coli metabolite;
mouse metabolite |
pivalic acid
pivalic acid : A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position.. pivalic acid: RN given refers to parent cpd; structure | 2 | 1 | 0 | branched-chain saturated fatty acid;
methyl-branched fatty acid;
short-chain fatty acid | |
trifluoroacetic acid
Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid. | 2.07 | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite;
NMR chemical shift reference compound;
reagent |
phenylhydrazine
[no description available] | 2.11 | 1 | 0 | phenylhydrazines | xenobiotic |
triethylamine
[no description available] | 2.02 | 1 | 0 | tertiary amine | |
glycerylphosphorylcholine
Glycerylphosphorylcholine: A component of PHOSPHATIDYLCHOLINES or LECITHINS, in which the two hydroxy groups of GLYCEROL are esterified with fatty acids. (From Stedman, 26th ed) | 1.99 | 1 | 0 | glycerophosphocholine | |
bromophos
bromophos: minor descriptor (72-83); on-line & Index Medicus search ORGANOTHIOPHOSPHORUS COMPOOUNDS (72) & INSECTICIDES (72) & INSECTICIDES, ORGANOTHIOPHOSPHATE (73-83); structure | 2.11 | 1 | 0 | organic thiophosphate | |
dideoxyadenosine
Dideoxyadenosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is an inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal side effect is nephrotoxicity. In vivo, dideoxyadenosine is rapidly metabolized to DIDANOSINE (ddI) by enzymatic deamination; ddI is then converted to dideoxyinosine monophosphate and ultimately to dideoxyadenosine triphosphate, the putative active metabolite. | 2 | 1 | 0 | adenosines;
purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor |
propionic anhydride
[no description available] | 2.02 | 1 | 0 | | |
2-fluoro-2',3'-dideoxyadenosine
[no description available] | 2 | 1 | 0 | | |
6-chloropurine riboside
[no description available] | 2 | 1 | 0 | | |
glucuronic acid
D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES. | 2 | 1 | 0 | D-glucuronic acid | algal metabolite |
hydroxyl radical
Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 2.02 | 1 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
maprounic acid
maprounic acid : A pentacyclic triterpenoid isolated from Maprounea africana and has been shown to exhibit inhibitory activity against HIV-1 reverse transcriptase.. maprounic acid: from Maprounea africana; structure given in first source | 2.02 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | HIV-1 reverse transcriptase inhibitor;
plant metabolite |
4-trifluoromethylsalicylic acid
4-trifluoromethylsalicylic acid: structure given in first source; metabolite of triflusal | 2.25 | 1 | 0 | hydroxybenzoic acid | |
lignin
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.. 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) | 2.41 | 1 | 0 | | |
tartaric acid
D-tartaric acid : The D-enantiomer of tartaric acid.. tartaric acid: RN given refers to cpd with unspecified isomeric designation | 2.31 | 1 | 0 | tartaric acid | Escherichia coli metabolite |
glycosides
[no description available] | 2.44 | 2 | 0 | | |
cyclouridine
cyclouridine: structure given in third source | 6.94 | 1 | 0 | | |
galactomannan
galactomannan : A heteroglycan consisting of a mannan backbone with galactose side groups.. galactomannan: a galectin inhibitor | 2.31 | 1 | 0 | oligosaccharide | |
phosphorus pentoxide
phosphorus pentoxide: drying agent for bacterial cultural extracts analyzed by gas-liquid chromatography; structure. diphosphonate(2-) : A divalent inorganic anion obtained by removal of both protons from diphosphonic acid. | 1.94 | 1 | 0 | | |
mocetinostat
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).. mocetinostat: undergoing phase II clinical trials for treatment of cancer | 2.11 | 1 | 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 |
ribose
ribopyranose : The pyranose form of ribose. | 2.02 | 1 | 0 | D-ribose;
ribopyranose | |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 2.31 | 1 | 0 | glycoside | |
phosphatidylcholines
Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety. | 2.39 | 2 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
mannans
[no description available] | 2.31 | 1 | 0 | | |
salicylates
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.. 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. | 2.25 | 1 | 0 | monohydroxybenzoate | plant metabolite |
acetaminophen
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.. 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. | 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 |
aspirin
acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.. acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5) | 2.02 | 1 | 0 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
benzophenone
benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. | 2.08 | 1 | 0 | benzophenones | photosensitizing agent;
plant metabolite |
etodolac
etodolac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active.. Etodolac: A non-steroidal anti-inflammatory agent and cyclooxygenase-2 (COX-2) inhibitor with potent analgesic and anti-arthritic properties. It has been shown to be effective in the treatment of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; ANKYLOSING SPONDYLITIS; and in the alleviation of postoperative pain (PAIN, POSTOPERATIVE). | 2.02 | 1 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 2.02 | 1 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
ketoprofen
ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.. Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis. | 2.02 | 1 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
phenacetin
Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione | 2.02 | 1 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
fluorene
[no description available] | 2.13 | 1 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon | |
ortho-hydroxybenzophenone
hydroxybenzophenone : Any benzophenone into which is substituted one or more hydroxy groups.. ortho-hydroxybenzophenone: structure in first source | 2.08 | 1 | 0 | | |
1,4-naphthoquinone
1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.. naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene. | 2.08 | 1 | 0 | 1,4-naphthoquinones | |
indolebutyric acid
indole-3-butyric acid : A indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1.. indolebutyric acid: RN given refers to parent cpd | 2.11 | 1 | 0 | indol-3-yl carboxylic acid | auxin;
plant hormone;
plant metabolite |
4-methylbenzophenone
4-methylbenzophenone: structure in first source | 2.02 | 1 | 0 | | |
9-fluorenone
fluoren-9-one : The simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9. | 2.08 | 1 | 0 | fluoren-9-ones | fungal xenobiotic metabolite |
Methyl 2-benzoylbenzoate
methyl 2-benzoylbenzoate: a photoinitiator; structure in first source | 2.11 | 1 | 0 | benzophenones | |
4-hydroxybenzophenone
4-hydroxybenzophenone: RN given refers to parent cpd | 2.08 | 1 | 0 | benzophenones | |
3-phenoxybenzoic acid
3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides. 3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. | 2.02 | 1 | 0 | phenoxybenzoic acid | human xenobiotic metabolite;
marine xenobiotic metabolite |
azides
Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3. | 2.06 | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
captopril
Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. | 2.11 | 1 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
N-benzoylanthranilic acid
N-benzoylanthranilic acid : An amidobenzoic acid comprising benzoic acid having a benzamido group at the 2-position. | 2.02 | 1 | 0 | amidobenzoic acid | |
4-methoxybenzophenone
4-methoxybenzophenone: structure in first source | 2.02 | 1 | 0 | | |
n-(2-carboxyphenyl)phenoxyacetamide
N-(2-carboxyphenyl)phenoxyacetamide: structure | 2.02 | 1 | 0 | | |
naproxen
Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes. | 2.02 | 1 | 0 | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
meropenem
Meropenem: A thienamycin derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of bacterial infections, including infections in immunocompromised patients.. meropenem : A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively. | 2.11 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide | antibacterial agent;
antibacterial drug;
drug allergen |
naphthoquinones
Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups. | 2.08 | 1 | 0 | | |
diclofenac sodium
diclofenac sodium : The sodium salt of diclofenac.. Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties. | 2.02 | 1 | 0 | organic sodium salt | |