| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
pyrogallol
benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | 2.21 | 1 | 0 | benzenetriol;
phenolic donor | plant metabolite |
hexobarbital
Hexobarbital: A barbiturate that is effective as a hypnotic and sedative.. hexobarbital : A member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups. | 1.97 | 1 | 0 | barbiturates | |
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 2.06 | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
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. | 2.03 | 1 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
myristicin
myristicin: asaricin is an isomer; structure; a methylene dioxy version of elemicin; | 3.11 | 4 | 0 | organic molecular entity | metabolite |
safrole
Safrole: A member of the BENZODIOXOLES that is a constituent of several VOLATILE OILS, notably SASSAFRAS oil. It is a precursor in the synthesis of the insecticide PIPERONYL BUTOXIDE and the drug N-methyl-3,4-methylenedioxyamphetamine (MDMA).. safrole : A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. | 2.6 | 1 | 0 | benzodioxoles | flavouring agent;
insecticide;
metabolite;
plant metabolite |
temefos
Temefos: An organothiophosphate insecticide.. temephos : An organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group. | 2.31 | 1 | 0 | organic sulfide;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
ectoparasiticide |
oleanolic acid
[no description available] | 2.02 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
apiole
apiole: crystalline essential oil isolated directly from commercial oil of parsley | 8.01 | 4 | 0 | benzodioxoles | metabolite |
Berberine chloride (TN)
[no description available] | 2.03 | 1 | 0 | organic molecular entity | |
limonene
Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA).. limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. | 2.52 | 2 | 0 | cycloalkene;
p-menthadiene | human metabolite |
pyriproxyfen
pyriproxyfen: an insect growth regulator; RN given refers to cpd without isomeric designation. pyriproxyfen : An aromatic ether that consists of propylene glycol having a 2-pyridyl group at the O-1 position and a 4-phenoxyphenyl group at the O-3 position. | 2.02 | 1 | 0 | aromatic ether;
pyridines | juvenile hormone mimic |
saquinavir
Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.. saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease. | 2.03 | 1 | 0 | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor |
cinnamodial
cinnamodial: dialdehyde sesquiterpene; structure in first source | 2.03 | 1 | 0 | tertiary alcohol | |
sesquiterpenes
[no description available] | 2.48 | 2 | 0 | | |
isoeugenol
trans-isoeugenol : The trans-stereoisomer of isoeugenol. | 2.6 | 1 | 0 | isoeugenol | plant metabolite |
fosbretabulin
[no description available] | 2.05 | 1 | 0 | stilbenoid | |
alloocimene
alloocimene: representative of carotenoid polyenes; RN given refers to cpd without isomeric designation. (4E,6E)-2,6-dimethylocta-2,4,6-triene : An ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer). | 2.21 | 1 | 0 | ocimene | semiochemical |
germacrene d
germacrene D: RN in 9th CI Form Index for unspecified stereoisomer: 37839-63-7 | 2.21 | 1 | 0 | | |
combretastatin a-4 disodium phosphate
[no description available] | 2.05 | 1 | 0 | | |
combretastatin a-2
combretastatin A-2: isolated from Combretum caffrum; RN from first source; structure given in first source | 2.05 | 1 | 0 | | |
cinnamosmolide
cinnamosmolide: isolated from several species of Canellaceae family; structure in first source | 2.03 | 1 | 0 | | |
aflatoxin g1
aflatoxin G1: RN given refers to (7aR-cis)-isomer & is from 9th CI Form Index | 2.03 | 1 | 0 | | |
pyrethrins
[no description available] | 2.1 | 1 | 0 | | |