| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
2-(3-pyridine)acetic acid
3-pyridylacetic acid : A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids. | 2.11 | 1 | 0 | monocarboxylic acid;
pyridines | human xenobiotic metabolite |
ureidosuccinic acid
ureidosuccinic acid: RN given refers to (DL)-isomer. N-carbamoylaspartic acid : An N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group. | 2.11 | 1 | 0 | aspartic acid derivative;
C4-dicarboxylic acid;
N-carbamoyl-amino acid | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite |
arabinofuranosylcytosine triphosphate
[no description available] | 2.11 | 1 | 0 | pyrimidine ribonucleoside monophosphate | |
aminoethylphosphonic acid
Aminoethylphosphonic Acid: An organophosphorus compound isolated from human and animal tissues.. (2-aminoethyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group. | 2.11 | 1 | 0 | phosphonic acids;
primary amino compound;
zwitterion | human metabolite;
metabolite;
mouse metabolite |
gamma-guanidinobutyric acid
gamma-guanidinobutyric acid: RN given refers to parent cpd. 4-guanidinobutyric acid : A monocarboxylic acid that is butanoic acid substituted by a guanidino group at position 4.. 4-guanidinobutanoate : A monocarboxylic acid anion that is the conjugate base of 4-guanidinobutanoic acid.. 4-guanidinobutanoic acid : The 4-guanidino derivative of butanoic acid. | 2.11 | 1 | 0 | guanidines;
monocarboxylic acid;
zwitterion | fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae 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. | 2.21 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
inositol
Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration. | 2.11 | 1 | 0 | cyclitol;
hexol | |
pentachlorophenol
PENTA: structure given in first source | 2.11 | 1 | 0 | aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes | human xenobiotic metabolite |
phenylalanine
[no description available] | 2.11 | 1 | 0 | alpha-amino acid;
aromatic amino acid | Daphnia magna metabolite |
nsc-267703
[no description available] | 2.11 | 1 | 0 | anthracycline | |
n-acetyltryptophan
N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan. | 2.11 | 1 | 0 | N-acetyl-amino acid;
tryptophan derivative | metabolite |
tyrphostin ag957
tyrphostin AG957: tyrosine kinase blocker; structure given in first source | 2.11 | 1 | 0 | aromatic amine | |
2-amino-4-phosphonobutyric acid
2-amino-4-phosphonobutyric acid: glutamate antagonist in locust muscle; structure; do not confuse with L-AP4, which is the propionic acid version | 2.11 | 1 | 0 | | |
aristolochic acid i
aristolochic acid I: phospholipase A inhibitor. aristolochic acid A : An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. | 2.11 | 1 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
benzbromarone
Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. | 2.11 | 1 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
benzylhydrochlorothiazide
[no description available] | 2.11 | 1 | 0 | benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide | |
eucalyptol
[no description available] | 2.11 | 1 | 0 | | |
amberlite cg 400
[no description available] | 2.11 | 1 | 0 | methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid | |
stallimycin
[no description available] | 2.11 | 1 | 0 | | |
domperidone
Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations. | 2.11 | 1 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
ellipticine
ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. | 2.11 | 1 | 0 | indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene | antineoplastic agent;
plant metabolite |
glyphosate
glyphosate: active cpd in herbicidal formulation Roundup; inhibits EC 2.5.1.19, 5-enolpyruvylshikimate-3-phosphate synthase; structure. glyphosate : A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS). | 2.11 | 1 | 0 | glycine derivative;
phosphonic acid | agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide |
haloperidol
Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. | 2.11 | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
miltefosine
miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine. | 2.11 | 1 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
hypericin
[no description available] | 2.11 | 1 | 0 | | |
batyl alcohol
batyl alcohol: RN given refers to cpd without isomeric designation. batilol : An alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent. | 2.11 | 1 | 0 | alkylglycerol | |
imipramine
Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. | 2.11 | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
nsc 664704
kenpaullone: inhibits CDK1/cyclin B; structure in first source. kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). | 2.11 | 1 | 0 | indolobenzazepine;
lactam;
organobromine compound | cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector |
ketoconazole
1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively. | 2.11 | 1 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
khellin
Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024). khellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator. | 2.11 | 1 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
2-amino-3-phosphonopropionic acid
2-amino-3-phosphonopropionic acid: metabotropic glutamate receptor antagonist; do not confuse AP-3 used as an abbreviation for this with enhancer-binding protein AP-3 (a trans-activator) or clathrin assembly protein AP-3. 2-amino-3-phosphonopropanoic acid : A non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group. | 2.11 | 1 | 0 | alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids | human metabolite;
metabotropic glutamate receptor antagonist |
benzylsuccinic acid
benzylsuccinic acid: inhibitor of carboxypeptidase A. 2-benzylsuccinic acid : A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent. | 2.11 | 1 | 0 | dicarboxylic acid | bacterial xenobiotic metabolite |
beta-lapachone
beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. | 2.11 | 1 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
mesoridazine
Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE.. mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group. | 2.11 | 1 | 0 | phenothiazines;
sulfoxide;
tertiary amino compound | dopaminergic antagonist;
first generation antipsychotic |
methoxsalen
Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.. methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. | 2.11 | 1 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
oxaprozin
Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE.. oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis. | 2.11 | 1 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
penicillamine
[no description available] | 2.11 | 1 | 0 | non-proteinogenic alpha-amino acid;
thiol | |
pentoxifylline
[no description available] | 2.11 | 1 | 0 | oxopurine | |
phenolsulfonphthalein
Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney. | 2.11 | 1 | 0 | 2,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone | acid-base indicator;
diagnostic agent;
two-colour indicator |
Picrotin, analytical standard
[no description available] | 2.11 | 1 | 0 | furopyran | |
pomiferin
pomiferin: structure in first source | 2.11 | 1 | 0 | isoflavanones | |
pridinol
pridinol: antispasmodic & muscle relaxant; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7539. pridinol : A piperidine substituted at position 1 by a 3-hydroxy-3,3-diphenylpropyl group. | 2.11 | 1 | 0 | piperidines;
tertiary alcohol | antiparkinson drug;
muscle relaxant |
sulfaquinoxaline
Sulfaquinoxaline: An antiprotozoal agent used to combat coccidial infections of swine, cattle, fowl, and other veterinary animals. Also used in controlling outbreaks of fowl typhoid and fowl cholera and in treatment of infectious enteritis. | 2.11 | 1 | 0 | benzenes;
sulfonamide | |
suramin
Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.. suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years. | 2.11 | 1 | 0 | naphthalenesulfonic acid;
phenylureas;
secondary carboxamide | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug |
4-methylglutamic acid
4-methylglutamic acid : A glutamic acid derivative that is glutamic acid substituted by a methyl group at position 4. | 2.11 | 1 | 0 | amino dicarboxylic acid;
glutamic acid derivative | |
androsterone
[no description available] | 2.04 | 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. | 2.04 | 1 | 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. | 2.04 | 1 | 0 | 17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid | androgen;
human metabolite;
mouse metabolite |
pilocarpine hydrochloride
pilocarpine hydrochloride : The hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth. | 2.11 | 1 | 0 | hydrochloride | |
veratramine
veratramine: structure. veratramine : A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions. | 2.11 | 1 | 0 | piperidine alkaloid | |
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. | 6.96 | 1 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
gibberellic acid
gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure. gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. | 2.11 | 1 | 0 | C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound | mouse metabolite;
plant metabolite |
taurocholic acid
Taurocholic Acid: The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.. taurocholate : An organosulfonate oxoanion that is the conjugate base of taurocholic acid.. taurocholic acid : A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals. | 2.04 | 1 | 0 | amino sulfonic acid;
bile acid taurine conjugate | human metabolite |
santowhite powder
4,4'-butylidenebis(6-tert-butyl-m-cresol): putatively both an androgen and estrogen antagonist; structure in first source | 2.11 | 1 | 0 | | |
fentichlor
fentichlor: structure. fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine. | 2.11 | 1 | 0 | aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol | antiinfective agent;
drug allergen |
pyrrolidonecarboxylic acid
Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration. | 2.11 | 1 | 0 | 5-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid | algal metabolite |
hexadecanolide
hexadecanolide: structure in first source | 2.11 | 1 | 0 | macrolide | |
pamoic acid
pamoic acid: RN given refers to parent cpd; structure | 2.11 | 1 | 0 | dicarboxylic acid | |
carzenide
[no description available] | 2.11 | 1 | 0 | sulfonamide | |
estradiol 17 beta-cypionate
[no description available] | 2.11 | 1 | 0 | steroid ester | |
lithocholic acid
Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.. lithocholate : A bile acid anion that is the conjugate base of lithocholic acid. | 3.41 | 7 | 0 | bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid | geroprotector;
human metabolite;
mouse metabolite |
jervine
jervine: teratogen from Veratrum grandiflorum; RN given refers to parent cpd(3beta,23beta)-isomer; structure | 2.11 | 1 | 0 | piperidines | |
chenodeoxycholic acid
Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.. chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3. | 2.48 | 2 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
glycocholic acid
Glycocholic Acid: The glycine conjugate of CHOLIC ACID. It acts as a detergent to solubilize fats for absorption and is itself absorbed.. glycocholic acid : A bile acid glycine conjugate having cholic acid as the bile acid component.. glycocholate : A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | 2.04 | 1 | 0 | bile acid glycine conjugate | human metabolite |
bicuculline
Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.. bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. | 2.11 | 1 | 0 | benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines | agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin |
salicylurate
salicylurate: RN given refers to parent cpd. salicyluric acid : An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.. salicylurate : A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | 2.11 | 1 | 0 | N-acylglycine;
secondary carboxamide | human xenobiotic metabolite;
uremic toxin |
3,5-pyridinedicarboxylic acid
3,5-pyridinedicarboxylic acid: structure in first source | 2.11 | 1 | 0 | pyridinedicarboxylic acid | |
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. | 2.04 | 1 | 0 | 17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
ricinine
[no description available] | 2.11 | 1 | 0 | nitrile;
pyridine alkaloid;
pyridone | |
carinamide
[no description available] | 2.11 | 1 | 0 | | |
3,5-dibromotyrosine
3,5-dibromotyrosine: used to synthesize various secondary metabolites from marine sponges | 2.11 | 1 | 0 | monocarboxylic acid | |
hematoporphyrin
Hematoporphyrins: Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.. hematoporphyrin : A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups. | 2.11 | 1 | 0 | | |
glycochenodeoxycholic acid
Glycochenodeoxycholic Acid: A bile salt formed in the liver from chenodeoxycholate and glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic.. glycochenodeoxycholate : A N-acylglycinate that is the conjugate base of glycochenodeoxycholic acid.. glycochenodeoxycholic acid : A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component. | 2.04 | 1 | 0 | bile acid glycine conjugate | human metabolite |
dehydroepiandrosterone sulfate
Dehydroepiandrosterone Sulfate: The circulating form of a major C19 steroid produced primarily by the ADRENAL CORTEX. DHEA sulfate serves as a precursor for TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE.. dehydroepiandrosterone sulfate : A steroid sulfate that is the 3-sulfooxy derivative of dehydroepiandrosterone. | 2.04 | 1 | 0 | 17-oxo steroid;
steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite;
mouse metabolite |
1H-indazol-3-amine
1H-indazol-3-amine: structure in first source | 2.11 | 1 | 0 | indazoles | |
1,1'-methylenedi-2-naphthol
1,1'-methylenedi-2-naphthol: piscicide | 2.11 | 1 | 0 | | |
tricarballylic acid
tricarballylic acid: RN given refers to parent cpd. tricarballylic acid : A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group. | 2.11 | 1 | 0 | tricarboxylic acid | |
popop
[no description available] | 2.11 | 1 | 0 | 1,3-oxazoles | fluorochrome |
5 alpha-androstane-3 alpha,17 beta-diol
5alpha-androstane-3alpha,17beta-diol : The 5alpha-stereoisomer of androstane-3alpha,17beta-diol. | 2.04 | 1 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite;
human metabolite |
2-tert-butylhydroquinone
2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. | 2.11 | 1 | 0 | hydroquinones | food antioxidant |
7-hydroxychlorpromazine
7-hydroxychlorpromazine: RN given refers to parent cpd | 2.11 | 1 | 0 | phenothiazines | |
cme-carbodiimide
[no description available] | 2.11 | 1 | 0 | | |
cyclacillin
Cyclacillin: A cyclohexylamido analog of PENICILLANIC ACID. | 2.11 | 1 | 0 | penicillin | antibacterial drug |
strombine
N-methyliminodiacetic acid: structure in first source | 2.11 | 1 | 0 | | |
thymolphthalein
Thymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust. | 2.11 | 1 | 0 | terpene lactone | |
ursodeoxycholic acid
Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.. ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | 2.48 | 2 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
1,4,5,8-naphthalenetetracarboxylic acid
1,4,5,8-naphthalenetetracarboxylic acid: structure given in first source | 2.11 | 1 | 0 | | |
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
[no description available] | 2.11 | 1 | 0 | anthracycline | |
hydroxyphenylazouracil
Hydroxyphenylazouracil: Inhibitor of DNA replication in gram-positive bacteria. | 2.11 | 1 | 0 | | |
canadine
canadine: RN given refers to cpd without isomeric designation; structure. canadine : A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10. | 2.11 | 1 | 0 | aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle | |
pimonidazole
pimonidazole: structure given in first source | 2.11 | 1 | 0 | | |
flavone acetic acid
flavone acetic acid: structure given in first source | 2.11 | 1 | 0 | | |
trichlorophene
trichlorophene: contains 20 carbon atoms; do not confuse with trichlorophene as name for trichloro derivs of 2,2'-methylenebisphenol (contain 13 carbon atoms) | 2.11 | 1 | 0 | | |
verapamil hydrochloride
verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride. | 2.11 | 1 | 0 | | |
4-aminomethylbenzoic acid
[no description available] | 2.11 | 1 | 0 | benzoic acids | |
cedrol
cedrol: a cyclic terpenoid from cedarwood oil; 8-epicedrol is an epimer | 2.11 | 1 | 0 | cedrane sesquiterpenoid;
tertiary alcohol | |
propazole
propazole: RN given refers to parent cpd; structure | 2.11 | 1 | 0 | benzimidazoles | |
reserpic acid
reserpic acid: inhibitor of norepinephrine transport into chromaffin vesicle ghosts; RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomer parent cpd; structure given in first source | 2.11 | 1 | 0 | yohimban alkaloid | |
pifexole
pifexole: structure | 2.11 | 1 | 0 | | |
Diphenolic acid
diphenolic acid: an estrogenic ligand | 2.11 | 1 | 0 | bisphenol | |
Melicopidine
[no description available] | 2.11 | 1 | 0 | acridines | |
resorufin
[no description available] | 2.11 | 1 | 0 | phenoxazine | |
vinburnine
[no description available] | 2.11 | 1 | 0 | alkaloid | |
pacein
PAcein: structure. pacein : A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.. orcein : A variable mixture of several compounds isolated from lichens, the eight most abundant being alpha-aminoorcein, alpha-hydroxyorcein, beta-aminoorcein, gamma-aminoorcein, beta-hydroxyorcein, gamma-hydroxyorcein, beta-aminoorceimine and beta-aminoorceimine (all are phenoxazine-based). It is used for the demonstration of elastic fibres as well as to stain the rough endoplasmic reticulum of hepatitis B infected liver cells. | 2.11 | 1 | 0 | | |
alantolactone
alantolactone: allergenic sesquiterpene lactone; crystalline mixture of alantolactones from group of sesquiterpenes; structure. alantolactone : A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3. | 2.11 | 1 | 0 | naphthofuran;
olefinic compound;
sesquiterpene lactone | antineoplastic agent;
apoptosis inducer;
plant metabolite |
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide: structure | 2.11 | 1 | 0 | | |
tetrandrine
tetrandrine: a bisbenzylisoquinoline that exhibits antifibrogenic activity | 2.11 | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
stictic acid
stictic acid: antioxidant from lichen, Usnea articulata; structure in first source | 2.11 | 1 | 0 | aromatic ether | |
gallocyanine
gallocyanine: structure; gallocyanine-chrome alum is used as a nuclear stain to quantitate nucleic acids. gallocyanin : An organic chloride salt composed of 1-carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium and chloride ions in a 1:1 ratio. A histological dye used in solution with an iron alum mordant as a hematoxylin substitute in the H&E stain. | 2.11 | 1 | 0 | | |
propylsulfonic acid
propylsulfonic acid: RN given refers to cpd without locant for propyl moiety | 2.11 | 1 | 0 | | |
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide
N-cyclohexyl-N'-(2-(4-morpholinyl)ethyl)carbodiimide : A carbodiimide having cyclcohexyl and 2-(4-morpholinyl)ethyl as the two N-substituents. | 2.11 | 1 | 0 | carbodiimide;
morpholines | cross-linking reagent |
6,6'-dithiodinicotinic acid
6,6'-dithiodinicotinic acid: RN given refers to parent cpd; structure | 2.11 | 1 | 0 | | |
va 061
VA 061: a water-soluble radical initiator; structure in first source | 2.11 | 1 | 0 | | |
n-acetyltyrosine, (dl)-isomer
N-acetyltyrosine: RN given refers to (L)-isomer. N-acetyltyrosine : An N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group. | 2.11 | 1 | 0 | N-acetyl-amino acid;
phenols;
tyrosine derivative | human urinary metabolite |
cinchonine
[no description available] | 2.11 | 1 | 0 | (8xi)-cinchonan-9-ol;
cinchona alkaloid | metabolite |
n(6)-(delta(2)-isopentenyl)adenine
N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group. | 2.11 | 1 | 0 | 6-isopentenylaminopurine | cytokinin |
2-Phthalimidoglutaricacid
[no description available] | 2.11 | 1 | 0 | glutamic acid derivative | |
nsc-87877
NSC-87877: potent Shp2 (nonreceptor protein tyrosine phosphatase) inhibitor; structure in first source | 2.11 | 1 | 0 | | |
cholanic acid
[no description available] | 2.04 | 1 | 0 | 5beta-cholanic acids;
cholanic acid | |
5-alpha-dihydroprogesterone
5-alpha-Dihydroprogesterone: A biologically active 5-alpha-reduced metabolite of plasma PROGESTERONE. It is the immediate precursor of 5-alpha-pregnan-3-alpha-ol-20-one (ALLOPREGNANOLONE), a neuroactive steroid that binds with GABA(A) RECEPTOR.. 5alpha-pregnane-3,20-dione : A C21-steroid hormone that is 5alpha-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone. | 2.04 | 1 | 0 | 20-oxo steroid;
3-oxo-5alpha-steroid;
C21-steroid hormone | human metabolite;
progestogen |
nipecotic acid amide
nipecotic acid amide: RN & N1 form 9th CI Form Index; RN given refers to cpd without isomeric designation. nipecotamide : The amide resulting from the formal condensation of nipecotic acid with ammonia. | 2.11 | 1 | 0 | piperidinecarboxamide | |
dimethacrine
dimethacrine: minor descriptor (75-84); on-line & Index Medicus search ACRIDINES (75-84); RN given refers to parent cpd without isomeric designation | 2.11 | 1 | 0 | acridines | |
dehydroabietic acid
dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group. | 2.11 | 1 | 0 | abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid | allergen;
metabolite |
4-deoxypyridoxine 5'-phosphate
[no description available] | 2.11 | 1 | 0 | | |
4-(phenylthio)butanoic acid
4-(phenylthio)butanoic acid: structure in first source | 2.11 | 1 | 0 | | |
bis-a-tda
bis-A-TDA: structure given in first source | 2.11 | 1 | 0 | | |
1-amino-2-phenylethylphosphonic acid
1-amino-2-phenylethylphosphonic acid: RN given refers to cpd without isomeric designation: structure given in first source | 2.11 | 1 | 0 | | |
4-fluoro-alpha-hydroxybenzeneacetic acid
4-fluoro-alpha-hydroxybenzeneacetic acid: an aprepitant urinary metabolite; structure in first source | 2.11 | 1 | 0 | | |
Isopteropodin
[no description available] | 2.11 | 1 | 0 | indolizines | |
benzpiperylone
benzpiperylone: spelled benzopiperylone in title | 2.11 | 1 | 0 | pyrazoles;
ring assembly | |
carboxyamido-triazole
carboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201 | 2.11 | 1 | 0 | | |
glycolithocholic acid
glycolithocholic acid: RN given refers to (3alpha,5beta)-isomer. glycolithocholic acid : The glycine conjugate of lithocholic acid. | 2.48 | 2 | 0 | bile acid glycine conjugate;
N-acylglycine | |
taurohyodeoxycholic acid
taurohyodeoxycholic acid: a biliary acid used for the prevention and therapy of gallstones and related symptoms | 2.04 | 1 | 0 | bile acid taurine conjugate | |
calpain inhibitor 2
calpain inhibitor 2: inhibits degradation of 3-hydroxy-3-methylglutaryl-coenzyme A reductase and some other cysteine proteinases | 2.06 | 1 | 0 | peptide | |
nsc 607097
[no description available] | 2.11 | 1 | 0 | | |
pacifenol
pacifenol: isolated from sea weeds and marine alga Laurencia claviformis; RN refers to (2R,5R,5aR,7S,8S,9aS)-isomer; structure in first source | 2.11 | 1 | 0 | | |
n-phenyliminodiacetic acid
[no description available] | 2.11 | 1 | 0 | | |
cyc 202
seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. | 2.11 | 1 | 0 | 2,6-diaminopurines | antiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
cystamine hydrochloride
[no description available] | 2.11 | 1 | 0 | | |
dipiperidinoethane-di-n-oxide
dipiperidinoethane-di-N-oxide: oxidized neurotoxic dipiperidinoethane deriv; structure given in first source | 2.11 | 1 | 0 | | |
24-norursodeoxycholic acid
24-norursodeoxycholic acid: structure given in first source | 2.04 | 1 | 0 | | |
benzyl-beta-d-xyloside
benzyl-beta-D-xyloside: RN given refers to (beta-D)-isomer | 2.11 | 1 | 0 | | |
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
[no description available] | 2.11 | 1 | 0 | dicarboxylic acid | |
cholic acid
Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. | 2.48 | 2 | 0 | 12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
2,4-dinitrophenylacetic acid
2,4-dinitrophenylacetic acid: RN given refers to parent cpd | 2.11 | 1 | 0 | | |
sitosterol, (3beta)-isomer
Sobatum: tradename; active fraction of Solanum trilobatum; reduces side-effects of radiation-induced toxicity. sitosterol : A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3. | 2.11 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol | anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor |
(5-Phenyl-1,2,4-triazol-3-yl)urea
[no description available] | 2.11 | 1 | 0 | benzenes | |
deoxycholic acid
Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.. deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. | 2.79 | 3 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human blood serum metabolite |
fumagillol
fumagillol: from Penicillium jensenii; FR 65814 is an analog; structure given in first source. fumagillol : A sesquiterpenoid with antimicrobial properties. | 2.11 | 1 | 0 | secondary alcohol;
sesquiterpenoid;
spiro-epoxide | antimicrobial agent |
vacquinol-1
[no description available] | 2.11 | 1 | 0 | | |
aspidospermine
aspidospermine: an indole fused to a qunoline; isolated from Aspidosperma tree; structure given in first source. aspidospermine : An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1. | 2.11 | 1 | 0 | indole alkaloid | |
guaiol
guaiol: structure in first source | 2.11 | 1 | 0 | guaiane sesquiterpenoid | |
benzatropine methanesulfonate
[no description available] | 2.11 | 1 | 0 | | |
epietiocholanolone
epietiocholanolone : A 3beta-hydroxy steroid that is 5beta-androstane substituted by a hydroxy group at position 3beta and an oxo group at position 17. It is a metabolite of testosterone. | 2.04 | 1 | 0 | 17-oxo steroid;
3beta-hydroxy steroid;
androstanoid | androgen;
animal metabolite;
human blood serum metabolite;
mouse metabolite;
rat metabolite |
pseudoyohimbine
[no description available] | 2.11 | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
gant58
GANT58: inhibits hedgehog signalling; structure in first source | 2.11 | 1 | 0 | pyridines | |
nsc 88915
4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate): a tyrosyl-DNA phosphodiesterase inhibitor; structure in first source | 2.11 | 1 | 0 | | |
o-acetylsolasodine
[no description available] | 2.11 | 1 | 0 | | |
viroallosecurinine
[no description available] | 2.11 | 1 | 0 | indolizines | |
4-methyl-2-quinazolinamine
4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source | 2.11 | 1 | 0 | | |
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid: inhibits PH domain leucine-rich repeat protein phosphatase; structure in first source | 2.11 | 1 | 0 | | |
adamantoylcytarabine
adamantoylcytarabine: RN given refers to parent cpd; structure in Negwer, 5th ed, #4393 | 2.11 | 1 | 0 | | |
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
[no description available] | 2.11 | 1 | 0 | naphthalenes | |
noscapine
Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent.. (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects. | 2.11 | 1 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound | antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite |
LSM-1290
[no description available] | 2.11 | 1 | 0 | benzazepine alkaloid;
cyclic acetal | |
2-glycineamide-5-chlorophenyl-2-pyrryl ketone
[no description available] | 2.11 | 1 | 0 | | |
nsc 154020
[no description available] | 2.11 | 1 | 0 | N-glycosyl compound | |
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid
[no description available] | 2.11 | 1 | 0 | 2-hydroxyisophthalic acid | |
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one: structure in first source | 2.11 | 1 | 0 | cyclic ketone;
quinuclidines | |
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
[no description available] | 2.11 | 1 | 0 | benzodioxoles | |
croton factor f1
croton factor F1: induces ornithine decarboxylase activity; structure given in first source. 16-hydroxyphorbol 13-decanoate 12-palmitate : A phorbol ester that consists of 16-hydroxyphorbol bearing O-hexadecanoyl (palmitoyl) and O-decanoyl substituents at position 12 and 13 respectively. | 2.11 | 1 | 0 | phorbol ester;
tertiary alpha-hydroxy ketone | |
medicarpin
(-)-medicarpin : The (-)-enantiomer of medicarpin. | 2.11 | 1 | 0 | medicarpin | plant metabolite |
gitoxigenin
gitoxigenin: structure | 2.11 | 1 | 0 | 14beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid | |
aromoline
aromoline: from roots of Stephania cepharantha; structure given in first source | 2.11 | 1 | 0 | | |
nsc668394
[no description available] | 2.11 | 1 | 0 | | |
taurochenodeoxycholic acid
Taurochenodeoxycholic Acid: A bile salt formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. It acts as detergent to solubilize fats in the small intestine and is itself absorbed. It is used as a cholagogue and choleretic.. taurochenodeoxycholate : An organosulfonate oxoanion that is the conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.. taurochenodeoxycholic acid : A bile acid taurine conjugate of chenodeoxycholic acid. | 2.04 | 1 | 0 | bile acid taurine conjugate | human metabolite;
mouse metabolite |
gant 61
GANT 61: a sonic hedgehog pathway inhibitor and Gli inhibitor; structure in first source. GANT61 : An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor. | 2.11 | 1 | 0 | aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor |
taurolithocholic acid
Taurolithocholic Acid: A bile salt formed in the liver from lithocholic acid conjugation with taurine, usually as the sodium salt. It solubilizes fats for absorption and is itself absorbed. It is a cholagogue and choleretic.. taurolithocholic acid : The bile acid taurine conjugate of lithocholic acid. | 2.48 | 2 | 0 | bile acid taurine conjugate;
monocarboxylic acid amide | human metabolite |
epiandrosterone
epiandrosterone : A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. | 2.04 | 1 | 0 | 17-oxo steroid;
3beta-hydroxy steroid;
androstanoid | androgen;
human metabolite |
nortriptyline hydrochloride
[no description available] | 2.11 | 1 | 0 | organic tricyclic compound | geroprotector |
sulfolithocholic acid
sulfolithocholic acid: RN refers to (3alpha,5beta)-isomer. lithocholic acid sulfate : A steroid sulfate that is lithocholic acid in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group. | 2.48 | 2 | 0 | steroid sulfate | |
nsc 45641
[no description available] | 2.11 | 1 | 0 | | |
geraniol
[no description available] | 2.11 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
aconitic acid
cis-aconitic acid : The cis-isomer of aconitic acid. | 2.11 | 1 | 0 | aconitic acid | fundamental metabolite |
amygdalin
[no description available] | 2.11 | 1 | 0 | | |
alpha-phenylcinnamate
alpha-phenylcinnamate: RN given refers to parent cpd | 2.11 | 1 | 0 | | |
curcumin
Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. | 2.11 | 1 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
ethyldimethylaminopropyl carbodiimide
1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride: structure in first source | 2.11 | 1 | 0 | | |
tamoxifen citrate
[no description available] | 2.11 | 1 | 0 | citrate salt | angiogenesis inhibitor;
anticoronaviral agent |
sodium taurodeoxycholate
Taurodeoxycholic Acid: A bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. It is used as a cholagogue and choleretic, also industrially as a fat emulsifier.. taurodeoxycholic acid : A bile acid taurine conjugate of deoxycholic acid.. taurodeoxycholate : An organosulfonate oxoanion that is the conjugate base of taurodeoxycholic acid. | 2.04 | 1 | 0 | bile acid taurine conjugate | human metabolite |
eskazine
[no description available] | 2.11 | 1 | 0 | | |
nsc 336628
[no description available] | 2.11 | 1 | 0 | | |
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one
[no description available] | 2.11 | 1 | 0 | oxopurine | |
glycodeoxycholic acid
Glycodeoxycholic Acid: A bile salt formed in the liver by conjugation of deoxycholate with glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and choleretic.. glycodeoxycholic acid : A bile acid glycine conjugate of deoxycholic acid. | 2.04 | 1 | 0 | bile acid glycine conjugate | human metabolite |
cambinol
cambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source | 2.11 | 1 | 0 | | |
nsc 117199
[no description available] | 2.11 | 1 | 0 | | |
calcitriol
dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes | 2.13 | 1 | 0 | D3 vitamins;
hydroxycalciol;
triol | antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical |
mangostin
mangostin: xanthone from rind of Garcinia mangostana Linn. fruit. alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. | 2.11 | 1 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
coumestrol
Coumestrol: A daidzein derivative occurring naturally in forage crops which has some estrogenic activity.. coumestrol : A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. | 2.11 | 1 | 0 | coumestans;
delta-lactone;
polyphenol | anti-inflammatory agent;
antioxidant;
plant metabolite |
rottlerin
rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. | 2.11 | 1 | 0 | aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone | anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite |
ellagic acid
[no description available] | 2.11 | 1 | 0 | catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent |
hyodeoxycholic acid
hyodeoxycholic acid: differs from deoxycholic acid in that the 6 alpha-OH is in the 12 position in the former; RN given refers to (3alpha,5beta,6alpha)-isomer. hyodeoxycholic acid : A member of the class of 5beta-cholanic acids that is (5beta)-cholan-24-oic acid substituted by alpha-hydroxy groups at positions 3 and 6. | 2.48 | 2 | 0 | 5beta-cholanic acids;
6alpha,20xi-murideoxycholic acid;
bile acid;
C24-steroid | human metabolite;
mouse metabolite |
3-ketolithocholic acid
3-ketolithocholic acid: structure in first source | 2.04 | 1 | 0 | oxo-5beta-cholanic acid | |
7,8-dimethylalloxazine
7,8-dimethylalloxazine: structure. 7,8-dimethylisoalloxazine : A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8.. lumichrome : A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution. | 2.11 | 1 | 0 | 7,8-dimethylbenzo[g]pteridine-2,4-dione | plant metabolite |
dihydrothobainone
[no description available] | 2.11 | 1 | 0 | | |
piperic acid
piperinic acid: from Piper longum; structure in first source. (E,E)-piperic acid : A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum). | 2.11 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles | plant metabolite |
abscisic acid
2-trans-abscisic acid : An abscisic acid in which the two acyclic double bonds both have trans-geometry. | 2.11 | 1 | 0 | abscisic acids | |
radicinin
radicinin: mold metabolite from plant pathogen Stemphylium radicinum; RN given refers to (2S-(2alpha,3beta,7E))-isomer; structure | 2.11 | 1 | 0 | aromatic ketone | |
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
[no description available] | 2.11 | 1 | 0 | imidazopyrazine | |
hispanolone
hispanolone: structure in first source | 2.11 | 1 | 0 | | |
lactacystin
[no description available] | 2.06 | 1 | 0 | lactam;
S-substituted L-cysteine | |
loa
lithocholic acid acetate: structure in first source | 2.48 | 2 | 0 | | |
calcitroic acid
calcitroic acid: structure. calcitroic acid : A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group and the C-23/C-27 unit is replaced by a carboxy group. | 2.13 | 1 | 0 | hydroxycalciol | |
ursodoxicoltaurine
tauroursodeoxycholate : An organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.. tauroursodeoxycholic acid : A bile acid taurine conjugate derived from ursoodeoxycholic acid. | 2.04 | 1 | 0 | bile acid taurine conjugate | anti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent |
methyl cholate
methyl cholate: RN given refers to (3 alpha,5 beta,7 alpha,12 alpha)-isomer | 6.96 | 1 | 0 | bile acid | |
veratridine
Veratridine: A benzoate-cevane found in VERATRUM and Schoenocaulon. It activates SODIUM CHANNELS to stay open longer than normal. | 2.11 | 1 | 0 | | |
glycoursodeoxycholic acid
glycoursodeoxycholic acid : A bile acid glycine conjugate derived from ursoodeoxycholic acid.. glycoursodeoxycholate : A N-acylglycinate that is the conjugate base of glycoursodeoxycholic acid. obtained by deprotonation of the carboxy group; major species at pH 7.3. | 2.04 | 1 | 0 | bile acid glycine conjugate;
N-acylglycine | human blood serum metabolite;
neuroprotective agent |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 2.21 | 1 | 0 | glycoside | |
zimelidine hydrochloride
[no description available] | 2.11 | 1 | 0 | | |
chlortetracycline hydrochloride
Alexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil | 2.11 | 1 | 0 | | |
viridicatumtoxin
viridicatumtoxin: isolated from cultures of Penicillium viridicatum; RN given refers to 2'alpha,7'beta,11'abeta,12'beta-(-) isomer. viridicatumtoxin : A tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus. | 2.11 | 1 | 0 | | |
dacarbazine
(E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration. | 2.11 | 1 | 0 | dacarbazine | |
hematein
hematein: structure. hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. | 2.11 | 1 | 0 | | |