| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
4-hydroxybenzoic acid
4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | 2.67 | 3 | 0 | monohydroxybenzoic acid | algal metabolite;
plant metabolite |
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. | 1.98 | 1 | 0 | aminobenzoic acid | human metabolite;
mouse 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. | 3.07 | 5 | 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 |
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). | 1.95 | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
3-chlorobenzoic acid
[no description available] | 2.89 | 4 | 0 | monochlorobenzoic acid | drug metabolite |
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 1.99 | 1 | 0 | imidazole | |
acetanilide
acetanilide: a phenylacetamide; use ACETANILIDES for the plural group meaning of the singular term. N-phenylacetamide : A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group. | 1.95 | 1 | 0 | acetamides;
anilide | analgesic |
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. | 2.67 | 3 | 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. | 1.95 | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
phenol
[no description available] | 1.95 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
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. | 1.98 | 1 | 0 | methylpyridines;
phenylpyridine;
tetrahydropyridine | neurotoxin |
1-methylimidazole
1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position. | 1.99 | 1 | 0 | imidazoles | |
beta-resorcylic acid
beta-resorcylic acid: RN given refers to parent cpd; structure | 1.95 | 1 | 0 | | |
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. | 1.96 | 1 | 0 | dinitrophenol | allergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor |
theophylline
[no description available] | 1.95 | 1 | 0 | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent |
antipyrine
Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2. | 1.95 | 1 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
clonidine
Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group. | 1.98 | 1 | 0 | clonidine;
imidazoline | |
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. | 1.95 | 1 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite |
phenylbutazone
Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.. phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. | 1.95 | 1 | 0 | pyrazolidines | antirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
tolazoline
Tolazoline: A vasodilator that apparently has direct actions on blood vessels and also increases cardiac output. Tolazoline can interact to some degree with histamine, adrenergic, and cholinergic receptors, but the mechanisms of its therapeutic effects are not clear. It is used in treatment of persistent pulmonary hypertension of the newborn.. tolazoline : A member of the class of imidazoles that is 4,5-dihydro-1H-imidazole substituted by a benzyl group. | 1.95 | 1 | 0 | imidazoles | alpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent |
corticosterone
[no description available] | 2.39 | 2 | 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 |
prednisolone
Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. | 1.99 | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
estriol
hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl. | 1.99 | 1 | 0 | 16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid | estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite |
2,6-dichlorobenzoic acid
2,6-dichlorobenzoic acid : A chlorobenzoic acid carrying two chloro groups at positions 2 and 6 respectively. | 1.98 | 1 | 0 | chlorobenzoic acid;
dichlorobenzene | bacterial xenobiotic metabolite |
2,5-dichlorobenzoic acid
2,5-dichlorobenzoic acid : A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 5 are substituted by chloro groups. | 1.98 | 1 | 0 | chlorobenzoic acid;
dichlorobenzene | |
3,4-dichlorobenzoic acid
3,4-dichlorobenzoic acid: structure given in first source. 3,4-dichlorobenzoic acid : A chlorobenzoic acid carrying chloro substituents at positions 3 and 4. | 2.37 | 2 | 0 | chlorobenzoic acid | |
aldosterone
[no description available] | 1.99 | 1 | 0 | 11beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde | human metabolite;
mouse metabolite |
estrone
Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 1.99 | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
androsterone
[no description available] | 1.99 | 1 | 0 | 17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid | androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone |
etiocholanolone
Etiocholanolone: The 5-beta-reduced isomer of ANDROSTERONE. Etiocholanolone is a major metabolite of TESTOSTERONE and ANDROSTENEDIONE in many mammalian species including humans. It is excreted in the URINE.. 3alpha-hydroxy-5beta-androstan-17-one : An androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals. | 2.39 | 2 | 0 | 17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid | human metabolite;
mouse metabolite |
dehydroepiandrosterone
Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. | 2.39 | 2 | 0 | 17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid | androgen;
human metabolite;
mouse metabolite |
aminopyrine
Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.. aminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties. | 1.95 | 1 | 0 | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
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. | 2.89 | 4 | 0 | nitrobenzoic acid | |
aniline
[no description available] | 1.95 | 1 | 0 | anilines;
primary arylamine | |
androstenedione
Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.. androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads. | 2.39 | 2 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
desoxycorticosterone
Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE | 2.39 | 2 | 0 | 20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
17-alpha-hydroxyprogesterone
17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. | 2.39 | 2 | 0 | 17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone | human metabolite;
metabolite;
mouse metabolite;
progestin |
4-hydroxypropiophenone
[no description available] | 1.95 | 1 | 0 | acetophenones | |
4-chlorobenzoic acid
4-chlorobenzoic acid: RN given refers to parent cpd. 4-chlorobenzoic acid : A monochlorobenzoic acid carrying a chloro substituent at position 4. | 2.89 | 4 | 0 | monochlorobenzoic acid | bacterial xenobiotic metabolite |
1-naphthoic acid
naphthoic acid : An aromatic carboxylic acid that consists of a naphthalene skeleton substituted by one or more carboxy groups. | 1.98 | 1 | 0 | naphthoic acid | bacterial xenobiotic metabolite;
fungal xenobiotic metabolite |
2-iodobenzoic acid
iodobenzoic acid : A member of the class of benzoic acids that is benzoic acid bearing at least one iodo substituent. | 1.98 | 1 | 0 | 2-halobenzoic acid;
iodobenzoic acid | |
2-nitrophenol
nitrophenol : Any member of the class of phenols or substituted phenols carrying at least 1 nitro group. | 1.95 | 1 | 0 | 2-nitrophenols | |
2,3,5-triiodobenzoic acid
2,3,5-triiodobenzoic acid: inhibitor of auxin transport; RN given refers to parent cpd. 2,3,5-triiodobenzoic acid : A member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 2, 3 and 5 are replaced by iodine atoms. It is an auxin polar transport inhibitor. | 1.98 | 1 | 0 | benzoic acids;
organoiodine compound | antiauxins |
2-naphthoic acid
2-naphthoic acid: RN given refers to parent cpd. 2-naphthoic acid : A naphthoic acid that is naphthalene carrying a carboxy group at position 2. | 1.98 | 1 | 0 | naphthoic acid | mouse metabolite;
xenobiotic metabolite |
5-nitrosalicylic acid
5-nitrosalicylic acid : A monohydroxybenzoic acid in which the hydroxy group is ortho- to the carboxylic acid group and which has a nitro substituent para- to the phenolic hydroxy group. | 1.95 | 1 | 0 | 4-nitrophenols;
monohydroxybenzoic acid | |
4-tert-butylbenzoic acid
4-tert-butylbenzoic acid: RN given refers to parent cpd | 2.67 | 3 | 0 | alkylbenzene | |
3-toluic acid
3-toluic acid: RN given refers to parent cpd; structure | 2.67 | 3 | 0 | methylbenzoic acid | human xenobiotic 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. | 2.67 | 3 | 0 | aminobenzoic acid | |
3-hydroxybenzoic acid
3-hydroxybenzoic acid: RN given refers to parent cpd. 3-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc. | 2.89 | 4 | 0 | monohydroxybenzoic acid | bacterial metabolite;
plant metabolite |
3-nitroaniline
3-nitroaniline: used as a sole source of nitrogen , carbon and energy | 1.95 | 1 | 0 | | |
4-toluic acid
4-toluic acid: RN given refers to parent cpd; structure. p-toluic acid : A methylbenzoic acid in which the methyl substituent is located at position 4. | 2.89 | 4 | 0 | methylbenzoic acid | |
4-nitroaniline
[no description available] | 1.95 | 1 | 0 | nitroaniline | bacterial xenobiotic metabolite |
4-anisic acid
4-methoxybenzoic acid: structure in first source. 4-methoxybenzoic acid : A methoxybenzoic acid substituted with a methoxy group at position C-4. | 2.67 | 3 | 0 | methoxybenzoic acid | plant metabolite |
4-toluidine
4-toluidine: RN given refers to parent cpd. p-toluidine : An aminotoluene in which the amino substituent is para to the methyl group. | 1.95 | 1 | 0 | aminotoluene | |
2-toluic acid
2-toluic acid: RN given refers to parent cpd; structure. o-toluic acid : A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2. | 1.98 | 1 | 0 | methylbenzoic acid | xenobiotic metabolite |
2-chlorobenzoic acid
2-chlorobenzoic acid: RN given refers to parent cpd. chlorobenzoic acid : Any member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro group.. 2-chlorobenzoic acid : A monochlorobenzoic acid having the chloro group at the 2-position. | 2.37 | 2 | 0 | 2-halobenzoic acid;
monochlorobenzoic acid | plant hormone;
plant metabolite |
5-iodosalicylic acid
5-iodosalicylic acid: RN given refers to parent cpd | 1.95 | 1 | 0 | | |
3-nitrobenzoic acid
3-nitrobenzoic acid: RN given refers to parent cpd | 2.89 | 4 | 0 | | |
3,5-diiodosalicylic acid
3,5-diiodosalicylic acid: RN given refers to parent cpd; structure | 2.36 | 2 | 0 | | |
carzenide
[no description available] | 1.98 | 1 | 0 | sulfonamide | |
pregnenolone
[no description available] | 2.39 | 2 | 0 | 20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid | human metabolite;
mouse metabolite |
ephedrine
Ephedrine: A phenethylamine found in EPHEDRA SINICA. PSEUDOEPHEDRINE is an isomer. It is an alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used for asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists.. (-)-ephedrine : A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively. | 1.95 | 1 | 0 | phenethylamine alkaloid;
phenylethanolamines | bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
gamma-resorcylic acid
[no description available] | 1.95 | 1 | 0 | dihydroxybenzoic acid | metabolite |
3,5-dichlorosalicylic acid
3,5-dichlorosalicylic acid: structure in first source | 1.95 | 1 | 0 | chlorobenzoic acid | |
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. | 1.95 | 1 | 0 | chlorobenzoic acid;
monochlorobenzenes;
monohydroxybenzoic acid | |
nandrolone
Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position.. nandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17. | 1.99 | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid | human metabolite |
2-fluorobenzoic acid
2-fluorobenzoic acid: RN given refers to parent cpd. 2-fluorobenzoic acid : A 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2.. fluorobenzoic acid : Any benzoic acid carrying at least one fluoro substituent on the benzene ring. Fluorobenzoic acids are important intermediates in the synthesis of antibacterial drugs. | 1.98 | 1 | 0 | 2-halobenzoic acid;
fluorobenzoic acid | |
4-(trifluoromethyl)benzoic acid
4-trifluoromethylbenzoic acid : A benzoic acid carrying a 4-trifluoromethyl substituent. | 2.67 | 3 | 0 | (trifluoromethyl)benzenes;
benzoic acids | |
3-fluorobenzoic acid
[no description available] | 2.39 | 2 | 0 | fluorobenzoic acid | |
4-fluorobenzoic acid
[no description available] | 2.67 | 3 | 0 | fluorobenzoic acid | bacterial xenobiotic metabolite |
androstenediol
Androstenediol: An intermediate in TESTOSTERONE biosynthesis, found in the TESTIS or the ADRENAL GLANDS. Androstenediol, derived from DEHYDROEPIANDROSTERONE by the reduction of the 17-keto group (17-HYDROXYSTEROID DEHYDROGENASES), is converted to TESTOSTERONE by the oxidation of the 3-beta hydroxyl group to a 3-keto group (3-HYDROXYSTEROID DEHYDROGENASES).. androst-5-ene-3beta,17beta-diol : A 3beta-hydroxy-Delta(5)-steroid that is 3beta-hydroxyandrost-5-ene carrying an additional hydroxy group at position 17beta. | 1.99 | 1 | 0 | 17beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid | androgen;
human metabolite;
mouse metabolite;
radiation protective agent |
dihydrotestosterone
Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5. | 2.39 | 2 | 0 | 17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
azomycin
azomycin: RN given refers to parent cpd with specified locant; structure | 1.99 | 1 | 0 | C-nitro compound;
imidazoles | antitubercular agent |
cumic acid
cumic acid : A member of the class of benzoic acids that is cumene substituted by at least one carboxy group.. p-cumic acid : A cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. | 1.98 | 1 | 0 | cumic acid | plant metabolite |
3-nitrophenol
[no description available] | 1.95 | 1 | 0 | 3-nitrophenols | |
2,6-dinitrophenol
[no description available] | 1.95 | 1 | 0 | dinitrophenol | |
3-methoxybenzoic acid
[no description available] | 2.67 | 3 | 0 | methoxybenzoic acid | flavouring agent;
human urinary metabolite |
4-bromobenzoic acid
4-bromobenzoic acid : A bromobenzoic acid carrying a single bromo subsituent at the 4-position. | 2.89 | 4 | 0 | bromobenzoic acid | |
algestone
Algestone: A synthetic progestational dihydroxy derivative of PROGESTERONE. Its acetonide possesses anti-inflammatory properties.. algestone : A C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17. | 1.99 | 1 | 0 | 16alpha-hydroxy steroid;
17-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
tertiary alpha-hydroxy ketone | progestin |
3,5-dinitrosalicylic acid
3,5-dinitrosalicylic acid: RN given refers to parent cpd. 3,5-dinitrosalicylic acid : A monohydroxybenzoic acid consisting of 2-hydroxybenzoic acid having nitro substituents at the 3- and 5-positions. It is used in colorimetric testing for the presence of free carbonyl groups (C=O) in reducing sugars. | 1.95 | 1 | 0 | C-nitro compound;
monohydroxybenzoic acid | hapten |
4-ethylbenzoic acid
[no description available] | 2.67 | 3 | 0 | benzoic acids | |
4-cyanobenzoic acid
[no description available] | 2.67 | 3 | 0 | | |
4-carboxybenzaladehyde
4-formylbenzoic acid : A member of the class of benzoic acids that is benzoic acid substituted by a formyl group at position 4. | 1.98 | 1 | 0 | benzaldehydes;
benzoic acids;
monocarboxylic acid | plant metabolite |
4-(dimethylamino)benzoic acid
[no description available] | 1.98 | 1 | 0 | | |
2-methylimidazole
[no description available] | 1.99 | 1 | 0 | | |
1-methyl-2-nitroimidazole
[no description available] | 1.99 | 1 | 0 | | |
3,5-dibromosalicylic acid
3,5-dibromosalicylic acid: structure in first source | 1.95 | 1 | 0 | | |
acedoben
4-acetamidobenzoic acid : A amidobenzoic acid that consists of benzoic acid bearing an acetamido substituent at position 4. | 1.98 | 1 | 0 | amidobenzoic acid | |
st 91
ST 91: RN given refers to parent cpd; structure | 1.98 | 1 | 0 | substituted aniline | |
3-acetamidobenzoic acid
N-acetyl-m-aminobenzoic acid: from Solanum laciniatum; structure in first source | 1.98 | 1 | 0 | | |
norharman
norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. | 2.39 | 2 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
4-aminomethylbenzoic acid
[no description available] | 1.98 | 1 | 0 | benzoic acids | |
2-ethylimidazole
[no description available] | 1.99 | 1 | 0 | | |
3-(dimethylamino)benzoic acid
3-(dimethylamino)benzoic acid: RN given refers to parent cpd | 1.98 | 1 | 0 | | |
4-(fluorosulfonyl)benzoic acid
[no description available] | 2.39 | 2 | 0 | | |
2-phenylimidazole
[no description available] | 1.99 | 1 | 0 | | |
tiazuril
[no description available] | 1.98 | 1 | 0 | aryl sulfide | |
5-methoxysalicylic acid
5-methoxysalicylic acid: enhances intestinal absorption of insulin in rats; RN given refers to parent cpd. 5-methoxysalicylic acid : A methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. | 1.95 | 1 | 0 | methoxysalicylic acid | bacterial metabolite;
human urinary metabolite |
2-(2-methyl-4-chlorophenylamino)-2-imidazoline
2-(2-methyl-4-chlorophenylamino)-2-imidazoline: RN given refers to parent cpd; structure in first source | 1.98 | 1 | 0 | | |
xylonidine
xylonidine: alpha adrenoreceptor stimulation by above cpd mainly inhibits the release of mediator and/or the bronchoconstriction caused by moderate activation of sensory nerves; forced molting agent; structure given in first source | 1.98 | 1 | 0 | | |
1-methyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
[no description available] | 1.98 | 1 | 0 | | |
2-aminoimidazole
2-aminoimidazole: from catabolism of arginine | 1.99 | 1 | 0 | | |
4-phenyl-1,2,3,6-tetrahydropyridine
4-phenyl-1,2,3,6-tetrahydropyridine: RN given refers to parent cpd | 1.98 | 1 | 0 | | |
4-(methylthio)benzoic acid
[no description available] | 2.39 | 2 | 0 | | |
17-alpha-hydroxypregnenolone
17-alpha-Hydroxypregnenolone: A 21-carbon steroid that is converted from PREGNENOLONE by STEROID 17-ALPHA-HYDROXYLASE. It is an intermediate in the delta-5 pathway of biosynthesis of GONADAL STEROID HORMONES and the adrenal CORTICOSTEROIDS.. 17alpha-hydroxypregnenolone : A hydroxypregnenolone carrying an alpha-hydroxy group at position 17. | 2.39 | 2 | 0 | 17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
hydroxypregnenolone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
1-methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine
1-methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine: more potent dopaminergic neurotoxic compound than MPTP in mice | 1.98 | 1 | 0 | | |
11-ketoprogesterone
11-ketoprogesterone: structure | 1.99 | 1 | 0 | corticosteroid hormone | |
4-mercaptobenzoate
4-mercaptobenzoate: substrate for 4-hydroxybenzoate hydroxylase | 2.39 | 2 | 0 | | |
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one
[no description available] | 2.39 | 2 | 0 | | |
2 alpha-methyl-9 alpha-fluorocortisol
[no description available] | 1.99 | 1 | 0 | | |
beta-carboline-3-carboxylic acid ethyl ester
beta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first source | 2.39 | 2 | 0 | beta-carbolines | |
beta-carboline-3-carboxylic acid methyl ester
beta-carboline-3-carboxylic acid methyl ester: structure given in first source | 2.39 | 2 | 0 | beta-carbolines | |
2-methyltryptoline
2-methyltryptoline: enzymatic preparation from human brain converts methyltyptamine to methyltryptoline; structure | 1.98 | 1 | 0 | beta-carbolines | |
3-ethoxy-beta-carboline
3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties | 2.39 | 2 | 0 | | |
tert-butyl beta-carboline-3-carboxylate
tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist | 2.39 | 2 | 0 | | |
r 79882
R 79882: a non-nucleoside inhibitor of HIV-1 reverse transcriptase; structure given in first source | 1.99 | 1 | 0 | | |
1-methyl-4-cyclohexyl-1,2,3,6-tetrahydropyridine
[no description available] | 1.98 | 1 | 0 | | |
1-methyl-4-(2'-ethylphenyl)-1,2,3,6-tetrahydropyridine
[no description available] | 1.98 | 1 | 0 | | |
1-methyl-4-(methylpyrrol-2-yl)-1,2,3,6-tetrahydropyridine
1-methyl-4-(methylpyrrol-2-yl)-1,2,3,6-tetrahydropyridine: structure given in first source | 1.98 | 1 | 0 | | |
4-benzyl-1-methyl-1,2,3,6-tetrahydropyridine
4-benzyl-1-methyl-1,2,3,6-tetrahydropyridine: structure given in first source; RN given is for HCl | 1.98 | 1 | 0 | | |
4-propylbenzoic acid
[no description available] | 1.98 | 1 | 0 | alkylbenzene | |
n-propyl-4-phenyl-1,2,3,6-tetrahydropyridine
N-propyl-4-phenyl-1,2,3,6-tetrahydropyridine: structure given in first source | 1.98 | 1 | 0 | | |
cortisone
[no description available] | 2.39 | 2 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
19-norprogesterone
19-norprogesterone: RN given refers to cpd without isomeric designation | 1.99 | 1 | 0 | corticosteroid hormone | |
5 alpha-androstane-3 beta,17 beta-diol
5alpha-androstane-3beta,17beta-diol : An androstane-3,17-diol that is 5alpha-androstane substituted by beta-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone. | 1.99 | 1 | 0 | 17beta-hydroxy steroid;
3beta-hydroxy steroid;
androstane-3,17-diol | Daphnia magna metabolite;
human metabolite |
cortodoxone
Cortodoxone: 17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.. 11-deoxycortisol : A deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen. | 2.39 | 2 | 0 | deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
diclazuril
[no description available] | 1.98 | 1 | 0 | nitrile | |
r 82150
R 82150: structure given in first source; inhibits HIV-1 replication | 1.99 | 1 | 0 | | |
r 86183
[no description available] | 1.99 | 1 | 0 | | |
thiopental
Thiopental: A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.. thiopental : A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. | 1.95 | 1 | 0 | barbiturates | anticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic |
quinine
[no description available] | 1.95 | 1 | 0 | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic |
4-azidobenzoic acid
[no description available] | 1.98 | 1 | 0 | | |
3-propoxy-beta-carboline
3-propoxy-beta-carboline: structure in first source | 2.39 | 2 | 0 | | |
harman
harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. | 2.39 | 2 | 0 | harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
1-Ethyl-9H-pyrido[3,4-b]indole
[no description available] | 2.39 | 2 | 0 | harmala alkaloid | |
levorphanol
Levorphanol: A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection. | 1.95 | 1 | 0 | morphinane alkaloid | |
sodium salicylate
[no description available] | 1.96 | 1 | 0 | organic molecular entity | |
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. | 1.96 | 1 | 0 | monohydroxybenzoate | plant metabolite |