| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
1-butanol
1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | 10.18 | 55 | 3 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
catechol
[no description available] | 2.11 | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
dihydroxyacetone
[no description available] | 7.25 | 1 | 0 | ketotriose;
primary alpha-hydroxy ketone | antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
dihydroxyphenylalanine
Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring. | 2.11 | 1 | 0 | hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative | human metabolite |
caffeine
[no description available] | 2.31 | 1 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
penicillamine
Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease.. penicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group. | 7.6 | 1 | 0 | non-proteinogenic alpha-amino acid;
penicillamine | antirheumatic drug;
chelator;
copper chelator;
drug allergen |
butylphen
butylphen: irritant; structure. 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4. | 3.21 | 1 | 0 | phenols | allergen |
monobenzone
monobenzone: structure. monobenzone : The monobenzyl ether of hydroquinone. It is used as a topical drug for medical depigmentation. | 8.62 | 2 | 0 | benzyl ether | allergen;
dermatologic drug;
melanin synthesis inhibitor |
pyrroles
1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. | 2.21 | 1 | 0 | pyrrole;
secondary amine | |
adamantane
Adamantane: A tricyclo bridged hydrocarbon. | 2.13 | 1 | 0 | adamantanes;
polycyclic alkane | |
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 2.17 | 1 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
raspberry ketone
rheosmin: an NSAID that blocks NF-kappaB activation; isolated from Pinus densiflora; structure in first source. raspberry ketone : A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. | 3.11 | 4 | 0 | methyl ketone;
phenols | androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite |
hydroiodic acid
hydrogen iodide : A diatomic molecule containing covalently bonded hydrogen and iodine atoms. | 2.11 | 1 | 0 | gas molecular entity;
hydrogen halide;
mononuclear parent hydride | mouse metabolite |
salvin
salvin: a biocyclic diterpenoid; from sage and rosemary (Lamiaceae) | 2.13 | 1 | 0 | abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid | angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite |
4-(4-hydroxyphenyl)-2-butanol
4-(4-hydroxyphenyl)-2-butanol: Depigmenting Agent | 2.13 | 1 | 0 | phenols | |
hydroxyl radical
Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 7.17 | 1 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
4-n-butylresorcinol
4-n-butylresorcinol: structure in first source | 2.13 | 1 | 0 | resorcinols | |
dopaquinone
[no description available] | 2.11 | 1 | 0 | 1,2-benzoquinones;
amino acid zwitterion;
L-phenylalanine derivative | human metabolite;
mouse metabolite |
Rhododendrin
rhododendrin: isolated from leaves of Rhododendron plants; has anti-inflammatory properties | 2.05 | 1 | 0 | glycoside | |
glycosides
[no description available] | 2.51 | 2 | 0 | | |
phenylthiourea
Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless.. N-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing. | 2.1 | 1 | 0 | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
quercetin
[no description available] | 2.05 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
cholecalciferol
Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. | 9.04 | 2 | 1 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
shogaol
shogaol: from ginger, ZINGIBER OFFICINALE; less mutagenic than GINGEROL; structure given in first source | 2.25 | 1 | 0 | enone;
monomethoxybenzene;
phenols | |
bimatoprost
Bimatoprost: A cloprostenol-derived amide that is used as an ANTIHYPERTENSIVE AGENT in the treatment of OPEN-ANGLE GLAUCOMA and OCULAR HYPERTENSION. | 3.98 | 2 | 1 | monocarboxylic acid amide | antiglaucoma drug;
antihypertensive agent |
cysteine
Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. | 7.15 | 1 | 0 | cysteinium | fundamental metabolite |
platyphylloside
platyphylloside: from the bark of black alder, inhibits the growth of sensitive and multi-drug resistant non-small cell lung carcinoma cells; structure in first source | 2.05 | 1 | 0 | | |
mart-1 antigen
MART-1 Antigen: A melanosome-specific protein that plays a role in the expression, stability, trafficking, and processing of GP100 MELANOMA ANTIGEN, which is critical to the formation of Stage II MELANOSOMES. The protein is used as an antigen marker for MELANOMA cells. | 2.81 | 3 | 0 | | |
tofacitinib
tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis. | 7.21 | 1 | 0 | N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound | antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
(E)-1,7-Bis(4-hydroxyphenyl)hept-4-en-3-one
[no description available] | 2.05 | 1 | 0 | diarylheptanoid | |
piperidines
Piperidines: A family of hexahydropyridines. | 2.21 | 1 | 0 | | |
interleukin-8
Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells. | 2.1 | 1 | 0 | | |
5-adamantan-1-yl-n-(2,4-dihydroxybenzyl)-2,4-dimethoxybenzamide
5-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-2,4-dimethoxybenzamide: a tyrosinase inhibitor; structure in first source | 2.13 | 1 | 0 | | |