| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
2,3-dihydroxybenzoic acid
2,3-dihydroxybenzoic acid: RN given refers to parent cpd. dihydroxybenzoic acid : Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives.. 2,3-dihydroxybenzoic acid : A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta. | 2.06 | 1 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite;
plant metabolite |
protocatechuic acid
protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 2.06 | 1 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
4-hydroxybenzaldehyde
[no description available] | 2.08 | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
adenine
[no description available] | 2.06 | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
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. | 2.11 | 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 |
catechol
[no description available] | 2.48 | 2 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 2.92 | 4 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant 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. | 2.06 | 1 | 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 |
malonic acid
malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.. dicarboxylic acid : Any carboxylic acid containing two carboxy groups. | 2.11 | 1 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
niacin
Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. | 2.11 | 1 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
picolinic acid
picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206. picolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. | 2.06 | 1 | 0 | pyridinemonocarboxylic acid | human metabolite;
MALDI matrix material |
quinolinic acid
Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan. | 2.06 | 1 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist |
1,10-phenanthroline
1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases | 2.06 | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
beta-resorcylic acid
beta-resorcylic acid: RN given refers to parent cpd; structure | 2.06 | 1 | 0 | | |
pyrithione
pyrithione: split from cephalosporin molecule; some metal complexes of this have fumarate reductase inhibitory activity and may be useful against trypanosomes; RN given refers to parent cpd; structure. pyrithione : A pyridinethione that is pyridine-2(1H)-thione in which the hydrogen attached to the nitrogen is replaced by a hydroxy group. It is a Zn(2+) ionophore; the zinc salt is used as an antifungal and antibacterial agent. | 2.06 | 1 | 0 | monohydroxypyridine;
pyridinethione | ionophore |
oxyquinoline
Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | 2.06 | 1 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
acetohydroxamic acid
acetohydroxamic acid: urease inhibitor. oxime : Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes.. N-hydroxyacetimidic acid : A carbohydroximic acid consisting of acetimidic acid having a hydroxy group attached to the imide nitrogen.. acetohydroxamic acid : A member of the class of acetohydroxamic acids that is acetamide in which one of the amino hydrogens has been replaced by a hydroxy group. | 2.06 | 1 | 0 | acetohydroxamic acids;
carbohydroximic acid | algal metabolite;
EC 3.5.1.5 (urease) inhibitor |
aspirin
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). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. 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. | 1.95 | 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 |
cloxyquin
cloxyquin: has antitubercular activity; structure in first source | 2.06 | 1 | 0 | organochlorine compound;
quinolines | |
diflunisal
Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN.. diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position. | 1.95 | 1 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
fusaric acid
Fusaric Acid: A picolinic acid derivative isolated from various Fusarium species. It has been proposed for a variety of therapeutic applications but is primarily used as a research tool. Its mechanisms of action are poorly understood. It probably inhibits DOPAMINE BETA-HYDROXYLASE, the enzyme that converts dopamine to norepinephrine. It may also have other actions, including the inhibition of cell proliferation and DNA synthesis. | 2.06 | 1 | 0 | aromatic carboxylic acid;
pyridines | |
2,5-dihydroxybenzoic acid
2,5-dihydroxybenzoic acid: RN given refers to parent cpd; a oxidative product of saligenin. 2,5-dihydroxybenzoic acid : A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions. | 2.06 | 1 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite |
beta-thujaplicin
beta-thujaplicin: structure. beta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. | 2.06 | 1 | 0 | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite |
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 1.95 | 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 |
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 1.95 | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
kojic acid
[no description available] | 2.06 | 1 | 0 | 4-pyranones;
enol;
primary alcohol | Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent |
aminosalicylic acid
Aminosalicylic Acid: An antitubercular agent often administered in association with ISONIAZID. The sodium salt of the drug is better tolerated than the free acid.. 4-aminosalicylic acid : An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4. | 2.06 | 1 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
salicylamide
salamide: a major impurity of hydrochlorothiazide; structure in first source | 2.06 | 1 | 0 | phenols;
salicylamides | antirheumatic drug;
non-narcotic analgesic |
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. | 2.06 | 1 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
benzoxazolone
benzoxazolone: RN given refers to parent cpd; structure. 2-benzoxazolinone : A member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2. | 2.08 | 1 | 0 | benzoxazole | allelochemical;
phytoalexin |
edetic acid
Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. | 1.98 | 1 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
4-nitrobenzoic acid
4-nitrobenzoic acid: RN given refers to parent cpd. 4-nitrobenzoic acid : A nitrobenzoic acid having the nitro group at the 4-position. | 2.08 | 1 | 0 | nitrobenzoic acid | |
4-toluenesulfonamide
4-toluenesulfonamide: RN given refers to parent cpd. toluene-4-sulfonamide : A sulfonamide that is benzenesulfonamide bearing a methyl group at position 4. | 2.06 | 1 | 0 | sulfonamide | |
3-methylsalicylic acid
3-methylsalicylic acid : A monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position. | 2.48 | 2 | 0 | monohydroxybenzoic acid | bacterial xenobiotic metabolite |
1,5-dihydroxynaphthalene
[no description available] | 2.08 | 1 | 0 | | |
lawsone
lawsone: a molluscacide from leaves of Lawsonia inermis L. topical sunscreening agent; structure; powdered leaves of Lawsonia inermis(Lythraceae) used as brown hair dye. lawsone : 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. | 2.06 | 1 | 0 | | |
1-hydroxy-2-naphthoic acid
1-hydroxy-2-naphthoic acid: RN given refers to parent cpd. 1-hydroxy-2-naphthoic acid : A naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms. | 2.03 | 1 | 0 | hydroxy monocarboxylic acid;
naphthoic acid;
naphthols | bacterial xenobiotic metabolite;
fungal xenobiotic metabolite |
5-methylsalicylic acid
[no description available] | 2.48 | 2 | 0 | | |
3-hydroxy-2-naphthoic acid
3-hydroxy-2-naphthoic acid: RN given refers to parent cpd | 2.03 | 1 | 0 | naphthoic acid | |
4,4'-dihydroxybiphenyl
biphenyl-4,4'-diol : A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'. | 2.08 | 1 | 0 | hydroxybiphenyls | |
quinaldic acid
[no description available] | 2.06 | 1 | 0 | quinolinemonocarboxylic acid | human metabolite;
Saccharomyces cerevisiae metabolite |
benzothiazole
benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. | 2.08 | 1 | 0 | benzothiazoles | environmental contaminant;
plant metabolite;
xenobiotic |
sulfosalicylic acid
5-sulfosalicylic acid : An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5. | 2.03 | 1 | 0 | arenesulfonic acid;
benzoic acids;
phenols | metabolite |
3-aminobenzoic acid
3-aminobenzoic acid: RN given refers to parent cpd. 3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3. | 2.11 | 1 | 0 | aminobenzoic acid | |
2,5-pyridinedicarboxylic acid
2,5-Pyridinedicarboxylic acid: RN given refers to parent cpd. isocinchomeronic acid : A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 5. | 2.06 | 1 | 0 | pyridinedicarboxylic acid | |
phenylhydrazine
[no description available] | 2.08 | 1 | 0 | phenylhydrazines | xenobiotic |
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 | 2.06 | 1 | 0 | 4-pyranones | metabolite |
5-iodosalicylic acid
5-iodosalicylic acid: RN given refers to parent cpd | 2.13 | 1 | 0 | | |
dibenzothiazyl disulfide
dibenzothiazyl disulfide: vulcanizing accelerant. dibenzothiazol-2-yl disulfide : An organic disulfide resulting from the formal oxidative coupling of the thiol groups of two molecules of 1,3-benzothiazole-2-thiol. It is used as an accelerator in the rubber industry. | 2.08 | 1 | 0 | benzothiazoles;
organic disulfide | allergen |
2-aminobenzothiazole
[no description available] | 2.08 | 1 | 0 | benzothiazoles | |
gamma-resorcylic acid
[no description available] | 2.06 | 1 | 0 | dihydroxybenzoic acid | metabolite |
3-phenylsalicylic acid
3-phenylsalicylic acid: structure given in first source | 2.38 | 2 | 0 | | |
5-chlorosalicylic acid
5-chlorosalicylic acid: major metabolite of meseclazone; RN given refers to parent cpd. 5-chlorosalicylic acid : A monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. | 2.52 | 2 | 0 | chlorobenzoic acid;
monochlorobenzenes;
monohydroxybenzoic acid | |
triflusal
triflusal: inhibits platelet aggregation similarly to aspirin; structure | 1.95 | 1 | 0 | benzoic acids;
carboxylic ester;
salicylates | |
4-methylcatechol
[no description available] | 2.08 | 1 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
3-aminopyridine
[no description available] | 2.11 | 1 | 0 | | |
ninhydrin
Ninhydrin: 2,2-Dihydroxy-1H-indene-1,3-(2H)-dione. Reagent toxic to skin and mucus membranes. It is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties.. ninhydrin : A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2. | 2.08 | 1 | 0 | aromatic ketone;
beta-diketone;
indanones;
ketone hydrate | colour indicator;
human metabolite |
3,5-pyridinedicarboxylic acid
3,5-pyridinedicarboxylic acid: structure in first source | 2.11 | 1 | 0 | pyridinedicarboxylic acid | |
dipicolinic acid
dipicolinic acid : A pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6. | 2.06 | 1 | 0 | pyridinedicarboxylic acid | bacterial metabolite |
hydroxyhydroquinone
benzene-1,2,4-triol : A benzenetriol carrying hydroxy groups at positions 1, 2 and 4. | 2.08 | 1 | 0 | benzenetriol | mouse metabolite |
tropolone
Tropolone: A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS).. tropolone : A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. | 2.06 | 1 | 0 | alpha-hydroxy ketone;
cyclic ketone;
enol | bacterial metabolite;
fungicide;
toxin |
1,2-dihydroxynaphthalene
1,2-dihydroxynaphthalene: RN given refers to parent cpd | 2.06 | 1 | 0 | naphthalenediol | mouse metabolite |
8-aminoquinoline
[no description available] | 2.06 | 1 | 0 | | |
6-hydroxyquinoline
quinolin-6-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 6. | 2.08 | 1 | 0 | monohydroxyquinoline | |
2,7-dihydroxynaphthalene
[no description available] | 2.08 | 1 | 0 | | |
pentafluorobenzoic acid
[no description available] | 2.08 | 1 | 0 | perfluorinated compound | |
1,3-indandione
1,3-indandione : A member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. | 2.08 | 1 | 0 | aromatic ketone;
beta-diketone;
indanones | |
5-methylbenzimidazole
5-methylbenzimidazole: structure in first source. 5-methyl-1H-benzimidazole : A member of the class of imidazoles that is 1H-benzimidazole in which the hydrogen at position 5 is substituted by a methyl group. | 2.08 | 1 | 0 | imidazoles | |
2-hydrazinobenzothiazole
[no description available] | 2.08 | 1 | 0 | | |
6-methyluracil
6-methyluracil: RN given refers to unlabeled cpd; structure. 6-methyluracil : A pyrimidone that is uracil with a methyl group at position 6. | 2.06 | 1 | 0 | pyrimidone | metabolite |
2-pyrrolecarboxylic acid
2-pyrrolecarboxylic acid: hypocalcemic action; structure. pyrrole-2-carboxylic acid : A pyrrolecarboxylic acid that is 1H-pyrrole carrying a carboxy substituent at position 2. | 2.06 | 1 | 0 | pyrrolecarboxylic acid | plant metabolite |
3-acetylindole
3-acetylindole: structure in first source | 2.08 | 1 | 0 | | |
8-hydroxy-2-methylquinoline
8-hydroxy-2-methylquinoline: structure in first source | 2.06 | 1 | 0 | hydroxyquinoline | |
2-(2'-hydroxyphenyl)benzoxazole
2-(2'-hydroxyphenyl)benzoxazole: structure in first source. 2-(1,3-benzoxazol-2-yl)phenol : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted by a 2-hydroxyphenyl group at position 2. | 2.06 | 1 | 0 | 1,3-benzoxazoles;
phenols | geroprotector |
3-hydroxypicolinic acid
[no description available] | 2.49 | 2 | 0 | monocarboxylic acid;
monohydroxypyridine | MALDI matrix material |
2-hydroxybenzothiazole
2-hydroxybenzothiazole : Benzothiazole substituted with a hydroxy group at the 2-position. | 2.08 | 1 | 0 | benzothiazole | |
phenylhydroquinone
phenylhydroquinone: major metabolite of o-phenylphenol; cleaves DNA; structure given in first source | 2.08 | 1 | 0 | | |
8-hydroxyquinoline N-oxide
8-hydroxyquinoline N-oxide : A quinoline N-oxide carrying a hydroxy substituent at position 8. | 2.06 | 1 | 0 | monohydroxyquinoline;
quinoline N-oxide | |
2-amino-4-methylbenzothiazole
2-amino-4-methylbenzothiazole: structure in first source | 2.08 | 1 | 0 | | |
clopyralid
clopyralid : An organochlorine pesticide having a 3,6-dichlorinated picolinic acid structure. | 2.06 | 1 | 0 | organochlorine pesticide;
pyridines | herbicide |
2,2'-biphenol
biphenyl-2,2'-diol : A member of the class of hydroxybiphenyls carrying hydroxy groups at positions 2 and 2'. | 2.08 | 1 | 0 | hydroxybiphenyls | |
6-aminonicotinic acid
6-aminonicotinic acid: RN given refers to parent cpd. 6-aminonicotinic acid : An aminonicotinic acid in which the amino group is situated at position 6 of the pyridine ring. | 2.11 | 1 | 0 | aminonicotinic acid;
aminopyridine;
aromatic amine | metabolite |
2-(2-hydroxyphenyl)benzothiazole
2-(1,3-benzothiazol-2-yl)phenol : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2. | 2.06 | 1 | 0 | benzothiazoles;
phenols | geroprotector |
ethyl maltol
ethyl maltol: structure given in first source | 2.06 | 1 | 0 | pyranone | |
terbium
Terbium: An element of the rare earth family of metals. It has the atomic symbol Tb, atomic number 65, and atomic weight 158.92. | 1.98 | 1 | 0 | f-block element atom;
lanthanoid atom | |
fluorine
Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries. | 2.06 | 1 | 0 | diatomic fluorine;
gas molecular entity | NMR chemical shift reference compound |
2,3-dihydroxypyridine
2,3-dihydroxypyridine: affects thyroid function. pyridine-2,3-diol : A dihydroxypyridine in which the two hydroxy groups are located at positions 2 and 3. | 2.06 | 1 | 0 | dihydroxypyridine | |
fluorides
[no description available] | 2.13 | 1 | 0 | halide anion;
monoatomic fluorine | |
acetylacetone
acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. | 2.06 | 1 | 0 | beta-diketone | |
5-hydroxynicotinic acid
[no description available] | 2.11 | 1 | 0 | aromatic carboxylic acid;
pyridines | |
salicylhydroxamic acid
[no description available] | 2.08 | 1 | 0 | hydroxamic acid;
phenols | antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug |
1,8-diaminonaphthalene
1,8-diaminonaphthalene: structure in first source | 2.08 | 1 | 0 | | |
pyromeconic acid
pyromeconic acid: from herb Dengzhanhua; structure | 2.06 | 1 | 0 | | |
2-hydroxypyrimidine
pyrimidone : A pyrimidine carrying one or more oxo substituents.. pyrimidin-2-ol : The hydroxypyrimidine that is pyrimidine mono-substituted at C-2 by a hydroxy group. | 2.06 | 1 | 0 | hydroxypyrimidine | electron donor;
Lewis base |
allomaltol
allomaltol: structure in first source | 2.06 | 1 | 0 | | |
4(5)-phenylimidazole
4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist | 2.08 | 1 | 0 | | |
1-hydroxy-2(1h)-pyridinone
1-hydroxy-2(1H)-pyridinone: structure in first source | 2.06 | 1 | 0 | | |
biphenyl-2-carboxylic acid
biphenyl-2-carboxylic acid: structure in first source | 2.08 | 1 | 0 | | |
2-aminonicotinic acid
2-aminonicotinic acid: structure in first source. 2-aminonicotinic acid : An aminonicotinic acid in which the amino group is situated at position 2 of the pyridine ring.. aminonicotinic acid : An aromatic amino acid that is nicotinic acid in which one of the hydrogens attached to the pyridine ring is replaced by an amino group. A 'closed class'. | 2.11 | 1 | 0 | aminonicotinic acid;
aminopyridine | metabolite |
2,2'-dipicolylamine
2,2'-dipicolylamine: structure in first source | 2.06 | 1 | 0 | | |
3-aminopicolinic acid
[no description available] | 2.11 | 1 | 0 | | |
8-hydroxy-2-quinolinecarboxylic acid
[no description available] | 2.06 | 1 | 0 | quinolines | |
3-chloro-2,4-pentanedione
3-chloro-2,4-pentanedione: structure in first source | 2.06 | 1 | 0 | | |
4-Methoxybenzamide
[no description available] | 2.08 | 1 | 0 | benzamides | |
2-(carboxymethylthio)benzothiazole
2-(carboxymethylthio)benzothiazole: oxidation product of 2-(hydroxyethylthio)benzothiazole; structure given in first source | 2.08 | 1 | 0 | | |
1-methyl-2-ethyl-3-hydroxypyridin-4-one
[no description available] | 2.06 | 1 | 0 | | |
cp094
1,2-diethyl-3-hydroxypyridin-4-one: structure given in first source | 2.06 | 1 | 0 | | |
1-methyl-3-hydroxypyridine-2-one
[no description available] | 2.06 | 1 | 0 | | |
5-bromonicotinic acid
5-bromonicotinic acid: structure given in first source | 2.11 | 1 | 0 | | |
2,6-dihydroxynaphthalene
[no description available] | 2.08 | 1 | 0 | naphthols | |
1-ethyl-2-methyl-3-hydroxypyridin-4-one
[no description available] | 2.06 | 1 | 0 | | |
2-acetylcyclopentanone
2-acetylcyclopentanone: an enolate-forming compound that is protective against electrophilic drugs; structure in first source | 2.06 | 1 | 0 | | |
5-fluoro-3-pyridinecarboxylic acid
[no description available] | 2.11 | 1 | 0 | | |
8-(methylsulfonylamino)quinoline
8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source | 2.06 | 1 | 0 | | |
4-trifluoromethylsalicylic acid
4-trifluoromethylsalicylic acid: structure given in first source; metabolite of triflusal | 1.95 | 1 | 0 | hydroxybenzoic acid | |
1,4,7-triazacyclononane
1,4,7-triazacyclononane: structure given in first source | 2.06 | 1 | 0 | azacycloalkane;
crown amine;
saturated organic heteromonocyclic parent | |
5-aminonicotinic acid
5-aminonicotinic acid: an inhibitor of D-aspartate oxidase; structure in first source. 5-aminonicotinic acid : An aminonicotinic acid in which the amino group is situated at position 5 of the pyridine ring. | 2.11 | 1 | 0 | aminonicotinic acid;
aminopyridine;
aromatic amine | metabolite |
methylthiouracil
Methylthiouracil: A thiourea antithyroid agent that inhibits the synthesis of thyroid hormone. It is used in the treatment of hyperthyroidism. | 2.06 | 1 | 0 | pyrimidone | |
4,6-dimethyl-2-thiopyrimidine
4,6-dimethyl-2-thiopyrimidine: structure | 2.06 | 1 | 0 | | |
captax
captax: RN given refers to parent cpd. 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group. | 2.08 | 1 | 0 | aryl thiol;
benzothiazoles | carcinogenic agent;
metabolite |
thiouracil
Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.. thiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group. | 2.06 | 1 | 0 | nucleobase analogue;
thiocarbonyl compound | antithyroid drug;
metabolite |
sulindac
Sulindac: A sulfinylindene derivative prodrug whose sulfinyl moiety is converted in vivo to an active NSAID analgesic. Specifically, the prodrug is converted by liver enzymes to a sulfide which is excreted in the bile and then reabsorbed from the intestine. This helps to maintain constant blood levels with reduced gastrointestinal side effects.. sulindac : A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions. | 1.95 | 1 | 0 | monocarboxylic acid;
organofluorine compound;
sulfoxide | analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent |
4-thiouracil
[no description available] | 2.06 | 1 | 0 | | |
5-nitroso-salicylate
5-nitroso-salicylate: metabolite of 5-aminosalicylic acid | 2.06 | 1 | 0 | hydroxybenzoic acid | |
4-nitrocatechol
4-nitrocatechol : A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol. | 2.08 | 1 | 0 | C-nitro compound;
catechols | human xenobiotic metabolite;
lipoxygenase inhibitor |
3-hydroxy-2-methyl-4h-pyran-4-thione
3-hydroxy-2-methyl-4H-pyran-4-thione: inhibits Bla2 beta-lactamase; structure in first source | 2.06 | 1 | 0 | | |
esculetin
esculetin: used in filters for absorption of ultraviolet light; structure. esculetin : A hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. | 2.08 | 1 | 0 | hydroxycoumarin | antioxidant;
plant metabolite;
ultraviolet filter |
7-hydroxycoumarin-4-acetic acid
7-hydroxycoumarin-4-acetic acid: pH-indicator dye; structure in first source | 2.08 | 1 | 0 | | |
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. | 3.29 | 6 | 0 | monohydroxybenzoate | plant metabolite |
n-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide
N-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide: structure in first source | 2.13 | 1 | 0 | | |
2,4-diaminohypoxanthine
2,4-diaminohypoxanthine: do not confuse abbreviation DAHP with various dehydro-deoxy-arabino-heptulosonic acid phosphates which also use DAHP; RN given refers to parent cpd; structure | 2.06 | 1 | 0 | hydroxypyrimidine | |