| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
phenol
[no description available] | 2.02 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
sarcosine
cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis | 2.04 | 1 | 0 | N-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines | Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite |
cetyl alcohol
cetyl alcohol: has been used for eczema, skin irritations; RN given refers to parent cpd; structure. hexadecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of sixteen carbon atoms.. hexadecan-1-ol : A long-chain primary fatty alcohol that is hexadecane substituted by a hydroxy group at position 1. | 7.4 | 2 | 0 | hexadecanol;
long-chain primary fatty alcohol | algal metabolite;
flavouring agent;
human metabolite;
plant metabolite |
lidocaine
Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline. | 2.02 | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
stearic acid
octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics. | 1.98 | 1 | 0 | long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite |
mannitol
[no description available] | 2.04 | 1 | 0 | mannitol | allergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent |
dinitrofluorobenzene
Dinitrofluorobenzene: Irritants and reagents for labeling terminal amino acid groups.. 1-fluoro-2,4-dinitrobenzene : The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions. | 1.98 | 1 | 0 | C-nitro compound;
organofluorine compound | agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent |
isoprene
isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. | 1.98 | 1 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
n-methyldiethanolamine
[no description available] | 2.13 | 1 | 0 | | |
pentane
Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms. | 1.98 | 1 | 0 | alkane;
volatile organic compound | non-polar solvent;
refrigerant |
isopropyl myristate
isopropyl myristate: used for microemulsions; structure | 2.72 | 3 | 0 | fatty acid ester | |
hexylamine
hexylamine: RN given refers to parent cpd; structure. 1-hexanamine : A 6-carbon primary aliphatic amine. | 2.04 | 1 | 0 | primary aliphatic amine | metabolite |
dimethyl 4-phthalate
dimethyl 4-phthalate: solvent; structure. dimethyl terephthalate : A diester resulting from the formal condensation of the carboxy groups of terephthalic acid with methanol. It is a primary ingredient widely used in the manufacture of polyesters and industrial plastics. | 2.08 | 1 | 0 | diester;
methyl ester;
phthalate ester | |
cetyl palmitate
palmityl palmitate : A palmitate ester resulting from the formal condensation of palmitic acid with palmityl alcohol. It is used as a thickener and emollient in cosmetics. | 1.98 | 1 | 0 | hexadecanoate ester | metabolite |
undecane
undecane : A straight-chain alkane with 11 carbon atoms. | 2.02 | 1 | 0 | alkane | |
decane
decane : A straight-chain alkane with 10 carbon atoms. | 2.02 | 1 | 0 | alkane | |
decyltrimethylammonium
decyltrimethylammonium ion : A quarternary ammonium cation having one decyl and three methyl substituents around the central nitrogen. | 2.04 | 1 | 0 | quaternary ammonium ion | |
octamethylenediamine
octamethylenediamine: RN given refers to parent cpd. 1,8-diaminooctane : An alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups. | 2.08 | 1 | 0 | alkane-alpha,omega-diamine | |
di-2-ethylhexyl sebacate
[no description available] | 2.21 | 1 | 0 | | |
paclitaxel
Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | 2.13 | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
2-pinene oxide
alpha-pinene oxide : An epoxide of alpha-pinene. | 2.04 | 1 | 0 | epoxide;
pinane monoterpenoid | bacterial xenobiotic metabolite;
fragrance;
human metabolite |
regadenoson
[no description available] | 2.13 | 1 | 0 | purine nucleoside | |
oleic acid
Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. | 2.21 | 1 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
mycophenolic acid
Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. | 1.98 | 1 | 0 | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic |
latoconazole
latoconazole: RN refers to cpd without isomeric designation; latoconazole is (E)-isomer; structure given in first source | 2.41 | 2 | 0 | conazole antifungal drug;
imidazole antifungal drug | |
sodium dodecyl sulfate
Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate. | 2.04 | 1 | 0 | organic sodium salt | detergent;
protein denaturant |
calcitriol
dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes | 2.21 | 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 |
sarkosyl
sarkosyl: RN given is for sarkosyl L, the parent cpd; structure | 2.04 | 1 | 0 | | |
dodecyl polyoxyethylene sulfuric acid, sodium salt
sodium laureth sulfate: do not confuse with sodium lauryl sulfate, which is also known by this name | 2.04 | 1 | 0 | | |
chlorotoxin
[no description available] | 2.13 | 1 | 0 | | |
biphenylylacetic acid
biphenylylacetic acid: metabolite of BHD 7538; RN given refers to cpd with unspecified locants for acetic acid moities | 2.25 | 1 | 0 | | |