| 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 |
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 |
nsc-526417
[no description available] | 2.07 | 1 | 0 | | |
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 |
fenofibrate
Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE | 2.25 | 1 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
glafenine
Glafenine: An anthranilic acid derivative with analgesic properties used for the relief of all types of pain.. glafenine : A carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market. | 2.25 | 1 | 0 | aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound | inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
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 |
mitoxantrone
Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. | 2.07 | 1 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
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 | |
ag 1879
3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor | 2.25 | 1 | 0 | aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine | beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
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 | |
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 | |
carbostyril
Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2. | 4.96 | 10 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
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 | |
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 |
purpurin
purpurin: from Rubiaceae plants; structure in first source. purpurin : A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. | 2.07 | 1 | 0 | trihydroxyanthraquinone | biological pigment;
histological dye;
plant 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 | | |
acriflavine chloride
3,6-diamino-10-methylacridinium chloride : The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine. | 2.07 | 1 | 0 | organic chloride salt | antibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator |
pyronine
Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.. pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method. | 2.07 | 1 | 0 | iminium salt;
organic chloride salt | histological dye |
propylparaben
Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872) | 2.25 | 1 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
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 |
methylparaben
methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd. methylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. | 2.25 | 1 | 0 | paraben | antifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite |
hexadecanolide
hexadecanolide: structure in first source | 2.11 | 1 | 0 | macrolide | |
n,n-dimethyl-1-dodecanamine
N,N-dimethyl-1-dodecanamine: increases body weight & feed efficiency in animals; RN given refers to parent cpd | 2.05 | 1 | 0 | | |
chlorendic acid
chlorendic acid: RN given refers to cpd without isomeric designation. chlorendic acid : A bridged organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with maleic anhydride followed by hydrolysis of the resulting anhydride. A chemical intermediate used in the preparation of fire-retardant polyester resins and plasticisers. | 2.05 | 1 | 0 | bridged compound;
dicarboxylic acid;
organochlorine compound | carcinogenic agent |
1-amino-4-hydroxyanthraquinone
[no description available] | 2.07 | 1 | 0 | | |
5-amino-2-naphthalenesulfonate
[no description available] | 2.07 | 1 | 0 | aminonaphthalenesulfonic acid | |
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 | |
adamantane
Adamantane: A tricyclo bridged hydrocarbon. | 4.14 | 4 | 0 | adamantanes;
polycyclic alkane | |
pyrazines
Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. | 2.17 | 1 | 0 | diazine;
pyrazines | Daphnia magna metabolite |
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. | 2.11 | 1 | 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 | |
rhein
[no description available] | 2.07 | 1 | 0 | dihydroxyanthraquinone | |
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 | |
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 | | |
1H-indazol-3-amine
1H-indazol-3-amine: structure in first source | 2.11 | 1 | 0 | indazoles | |
c 137
C 137: RN given refers to parent cpd | 2.07 | 1 | 0 | | |
1,1'-methylenedi-2-naphthol
1,1'-methylenedi-2-naphthol: piscicide | 2.11 | 1 | 0 | | |
ethidium bromide
[no description available] | 2.07 | 1 | 0 | organic bromide salt | geroprotector;
intercalator;
trypanocidal drug |
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 |
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 | |
1,4,5,8-naphthalenetetracarboxylic acid
1,4,5,8-naphthalenetetracarboxylic acid: structure given in first source | 2.11 | 1 | 0 | | |
rafoxanide
Rafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations. | 2.07 | 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] | 2.49 | 2 | 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 | | |
daunorubicin hydrochloride
[no description available] | 2.07 | 1 | 0 | anthracycline | |
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 | |
dimidium bromide
[no description available] | 2.07 | 1 | 0 | | |
resorufin
[no description available] | 2.11 | 1 | 0 | phenoxazine | |
vinburnine
[no description available] | 2.11 | 1 | 0 | alkaloid | |
2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid
2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid: structure given in first source | 2.07 | 1 | 0 | | |
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 | | |
methyl lithocholate
methyl lithocholate: RN given refers to (3alpha,5beta)-isomer | 2.11 | 1 | 0 | | |
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 | | |
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively. | 2.07 | 1 | 0 | pentahydroxyflavone | |
6,7-dichloroquinoline-5,8-dione
6,7-dichloro-5,8-quinolinedione: structure in first source | 2 | 1 | 0 | | |
4-chloro-3-(2,4-dihydroxyphenylazo)-2-hydroxybenzene-1-sulfonic acid
[no description available] | 2.07 | 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 | | |
phacidin
phacidin: fungal growth inhibitor from Potebniamyces balsamicola var. boycei; also active against bacteria | 2.07 | 1 | 0 | | |
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 | | |
3'-deamino-3'-hydroxydaunorubicin
3'-deamino-3'-hydroxydaunorubicin: structure given in first source | 2.07 | 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 | | |
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 | |
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 | |
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 | |
nsc 36398
NSC 36398: structure in first source | 2.07 | 1 | 0 | | |
benzatropine methanesulfonate
[no description available] | 2.11 | 1 | 0 | | |
pseudoyohimbine
[no description available] | 2.11 | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
nsc 74859
NSC 74859: inhibits Stat3 binding activity; structure in first source. S3I-201 : An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid. | 2.07 | 1 | 0 | amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester | STAT3 inhibitor |
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 | 2.48 | 2 | 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 | |
nsc-260594
NSC-260594: structure in first source | 2.07 | 1 | 0 | | |
hematoxylin
[no description available] | 2.07 | 1 | 0 | haematoxylin | |
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 | | |
nsc 663284
NSC 663284: structure in first source | 2 | 1 | 0 | quinolone | |
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 |
n,n-dimethyldaunorubicin
[no description available] | 2.07 | 1 | 0 | | |
nortriptyline hydrochloride
[no description available] | 2.11 | 1 | 0 | organic tricyclic compound | geroprotector |
nsc305787
[no description available] | 4.14 | 4 | 0 | | |
nsc 45641
[no description available] | 2.11 | 1 | 0 | | |
jp-1302
[no description available] | 2.07 | 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 |
calmidazolium
calmidazolium chloride : The organic choride salt of calmidazolium. | 2.07 | 1 | 0 | organic chloride salt | apoptosis inducer;
calmodulin antagonist |
2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
[no description available] | 2.07 | 1 | 0 | aryl sulfide | |
amygdalin
[no description available] | 2.11 | 1 | 0 | | |
alpha-phenylcinnamate
alpha-phenylcinnamate: RN given refers to parent cpd | 2.11 | 1 | 0 | | |
4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid
[no description available] | 2.07 | 1 | 0 | trihydroxybenzoic acid | |
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 |
umi-77
UMI-77: an Mcl-1 inhibitor; structure in first source | 2.07 | 1 | 0 | | |
N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide
[no description available] | 2.07 | 1 | 0 | coumarins | |
3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid
[no description available] | 2.07 | 1 | 0 | nitronaphthalene | |
N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide
[no description available] | 2.07 | 1 | 0 | quinoxaline derivative | |
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 |
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 | |
9-methoxy-n(2)-methylellipticinium iodide
[no description available] | 2.07 | 1 | 0 | | |
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 | | |
3-(2-furanyl)-N-[3-(2-furanyl)-4-methylpentyl]-4-phenylbutanamide
[no description available] | 2.07 | 1 | 0 | fatty amide | |
gw 7647
GW 7647: a PPAR-alpha agonist; structure in first source. GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group. | 2.07 | 1 | 0 | aryl sulfide;
monocarboxylic acid;
ureas | PPARalpha agonist |
N-[(4-methylphenyl)methyl]-4-(1-pyrrolyl)benzamide
[no description available] | 2.07 | 1 | 0 | benzamides | |
gamma-linolenic acid
gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed). gamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12. | 2.07 | 1 | 0 | linolenic acid;
omega-6 fatty acid | human metabolite;
mouse metabolite;
plant metabolite |
alpha-linolenic acid
linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.. linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid. | 2.07 | 1 | 0 | linolenic acid;
omega-3 fatty acid | micronutrient;
mouse metabolite;
nutraceutical |
diosmin
[no description available] | 2.07 | 1 | 0 | dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside | anti-inflammatory agent;
antioxidant |
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 |
myricetin
[no description available] | 2.07 | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
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 |
4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
[no description available] | 2.07 | 1 | 0 | quinolines | |
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 |
ag 538
AG 538: an IGF-1 receptor kinase inhibitor; structure in first source | 2.07 | 1 | 0 | | |
Diosmetin rutinoside
[no description available] | 2.07 | 1 | 0 | flavonoids;
glycoside | |
dihydrothobainone
[no description available] | 2.11 | 1 | 0 | | |
cefixime
[no description available] | 2.07 | 1 | 0 | cephalosporin | antibacterial drug;
drug allergen |
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 | |
10H-phenanthro[9,10-g]pteridine-11,13-dione
[no description available] | 2.07 | 1 | 0 | flavin | |
hispanolone
hispanolone: structure in first source | 2.11 | 1 | 0 | | |
thunberginol b
thunberginol B: isolated from Hydrangeae dulcis folium; structure given in first source | 2.07 | 1 | 0 | | |
3-(dimethylamino)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester
[no description available] | 2.07 | 1 | 0 | hydroxycoumarin | |
carmine
carminic acid : A tetrahydroxyanthraquinone that is that is 1,3,4,6-tetrahydroxy-9,10-anthraquinone substituted by a methyl group at position 8, a carboxy group at position 7 and a 1,5-anhydro-D-glucitol moiety at position 2 via a C-glycosidic linkage. It is a natural dye isolated from several insects such as Dactylopius coccus. | 2.07 | 1 | 0 | C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone | animal metabolite;
histological dye |
cefotaxime sodium
[no description available] | 2.07 | 1 | 0 | organic sodium salt | |
veratridine
Veratridine: A benzoate-cevane found in VERATRUM and Schoenocaulon. It activates SODIUM CHANNELS to stay open longer than normal. | 2.11 | 1 | 0 | | |
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-nitro-3-thiophenyl)thio]acetamide
[no description available] | 2.07 | 1 | 0 | anilide | |
3,6-diamino-10-methylacridinium chloride hydrochloride
3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. | 2.07 | 1 | 0 | hydrochloride | antibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator |
quercetin
[no description available] | 2.07 | 1 | 0 | | |
zimelidine hydrochloride
[no description available] | 2.11 | 1 | 0 | | |
montelukast sodium
[no description available] | 2.07 | 1 | 0 | organic sodium salt | |
acid blue 129
[no description available] | 2.07 | 1 | 0 | | |
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-5-bromo-2-furancarboxamide
[no description available] | 2.07 | 1 | 0 | acetamides;
anilide | |
navitoclax
[no description available] | 2.07 | 1 | 0 | aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
defactinib
[no description available] | 2.17 | 1 | 0 | | |
6-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
3-(2-chlorophenyl)-6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
3-(2-chlorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-3-[2-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
chlortetracycline hydrochloride
Alexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil | 2.11 | 1 | 0 | | |
methacycline monohydrochloride
[no description available] | 2.07 | 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 | | |
methylnitronitrosoguanidine
Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties.. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position | 2.25 | 1 | 0 | nitroso compound | alkylating agent |
galloflavin
galloflavin: structure in first source | 2.07 | 1 | 0 | | |