| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
2,3-dihydroxybenzoic acid
2,3-dihydroxybenzoic acid: RN given refers to parent cpd. dihydroxybenzoic acid : Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives.. 2,3-dihydroxybenzoic acid : A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta. | 2.06 | 1 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite;
plant metabolite |
protocatechuic acid
protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 2.06 | 1 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
adenine
[no description available] | 2.06 | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 3.35 | 1 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
catechol
[no description available] | 2.74 | 3 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
salicylic acid
Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 2.06 | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
guaiacol
Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. | 2.54 | 2 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
hydroquinone
[no description available] | 4.22 | 2 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 2.41 | 1 | 0 | imidazole | |
nitrates
Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical. | 2.21 | 1 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | |
picolinic acid
picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206. picolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. | 2.06 | 1 | 0 | pyridinemonocarboxylic acid | human metabolite;
MALDI matrix material |
quinolinic acid
Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan. | 2.06 | 1 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist |
spermine
[no description available] | 2.13 | 1 | 0 | polyazaalkane;
tetramine | antioxidant;
fundamental metabolite;
immunosuppressive agent |
1,10-phenanthroline
1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases | 2.06 | 1 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
beta-resorcylic acid
beta-resorcylic acid: RN given refers to parent cpd; structure | 2.06 | 1 | 0 | | |
pyrithione
pyrithione: split from cephalosporin molecule; some metal complexes of this have fumarate reductase inhibitory activity and may be useful against trypanosomes; RN given refers to parent cpd; structure. pyrithione : A pyridinethione that is pyridine-2(1H)-thione in which the hydrogen attached to the nitrogen is replaced by a hydroxy group. It is a Zn(2+) ionophore; the zinc salt is used as an antifungal and antibacterial agent. | 2.48 | 2 | 0 | monohydroxypyridine;
pyridinethione | ionophore |
oxyquinoline
Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | 2.74 | 3 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
acetohydroxamic acid
acetohydroxamic acid: urease inhibitor. oxime : Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes.. N-hydroxyacetimidic acid : A carbohydroximic acid consisting of acetimidic acid having a hydroxy group attached to the imide nitrogen.. acetohydroxamic acid : A member of the class of acetohydroxamic acids that is acetamide in which one of the amino hydrogens has been replaced by a hydroxy group. | 2.74 | 3 | 0 | acetohydroxamic acids;
carbohydroximic acid | algal metabolite;
EC 3.5.1.5 (urease) inhibitor |
cloxyquin
cloxyquin: has antitubercular activity; structure in first source | 2.06 | 1 | 0 | organochlorine compound;
quinolines | |
deferiprone
Deferiprone: A pyridone derivative and iron chelator that is used in the treatment of IRON OVERLOAD in patients with THALASSEMIA.. deferiprone : A member of the class of 4-pyridones that is pyridin-4(1H)-one substituted at positions 1 and 2 by methyl groups and at position 3 by a hydroxy group. A lipid-soluble iron-chelator used for treatment of thalassaemia. | 2.44 | 2 | 0 | 4-pyridones | iron chelator;
protective agent |
deferoxamine
Deferoxamine: Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.. desferrioxamine B : An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N(1)-(5-aminopentyl)-N(1)-hydroxy-N(4)-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator. | 2.42 | 2 | 0 | acyclic desferrioxamine | bacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore |
pentetic acid
Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium. | 2.53 | 2 | 0 | pentacarboxylic acid | copper chelator |
fusaric acid
Fusaric Acid: A picolinic acid derivative isolated from various Fusarium species. It has been proposed for a variety of therapeutic applications but is primarily used as a research tool. Its mechanisms of action are poorly understood. It probably inhibits DOPAMINE BETA-HYDROXYLASE, the enzyme that converts dopamine to norepinephrine. It may also have other actions, including the inhibition of cell proliferation and DNA synthesis. | 2.06 | 1 | 0 | aromatic carboxylic acid;
pyridines | |
2,5-dihydroxybenzoic acid
2,5-dihydroxybenzoic acid: RN given refers to parent cpd; a oxidative product of saligenin. 2,5-dihydroxybenzoic acid : A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions. | 2.06 | 1 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite |
hexylresorcinol
[no description available] | 3.35 | 1 | 0 | resorcinols | |
beta-thujaplicin
beta-thujaplicin: structure. beta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. | 3.61 | 2 | 0 | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite |
kojic acid
[no description available] | 4.66 | 4 | 0 | 4-pyranones;
enol;
primary alcohol | Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent |
aminosalicylic acid
Aminosalicylic Acid: An antitubercular agent often administered in association with ISONIAZID. The sodium salt of the drug is better tolerated than the free acid.. 4-aminosalicylic acid : An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4. | 2.06 | 1 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
pd 169316
2-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole: p38 MAP kinase inhibitor | 3.27 | 1 | 0 | imidazoles | |
resorcinol
resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3. | 3.35 | 1 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
salicylamide
salamide: a major impurity of hydrochlorothiazide; structure in first source | 2.06 | 1 | 0 | phenols;
salicylamides | antirheumatic drug;
non-narcotic analgesic |
sb 202190
4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase | 3.27 | 1 | 0 | imidazoles;
organofluorine compound;
phenols;
pyridines | apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
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. | 2.06 | 1 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
barbituric acid
barbituric acid: RN given refers to parent cpd; structure from Merck Index, 9th ed, #966. barbituric acid : A barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. | 2.41 | 1 | 0 | barbiturates | allergen;
xenobiotic |
4-toluenesulfonamide
4-toluenesulfonamide: RN given refers to parent cpd. toluene-4-sulfonamide : A sulfonamide that is benzenesulfonamide bearing a methyl group at position 4. | 2.54 | 2 | 0 | sulfonamide | |
3-methylsalicylic acid
3-methylsalicylic acid : A monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position. | 2.06 | 1 | 0 | monohydroxybenzoic acid | bacterial xenobiotic metabolite |
lawsone
lawsone: a molluscacide from leaves of Lawsonia inermis L. topical sunscreening agent; structure; powdered leaves of Lawsonia inermis(Lythraceae) used as brown hair dye. lawsone : 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. | 2.06 | 1 | 0 | | |
5-methylsalicylic acid
[no description available] | 2.06 | 1 | 0 | | |
quinaldic acid
[no description available] | 2.06 | 1 | 0 | quinolinemonocarboxylic acid | human metabolite;
Saccharomyces cerevisiae metabolite |
benzenesulfonamide
[no description available] | 2.41 | 1 | 0 | sulfonamide | |
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. | 3.35 | 1 | 0 | phenols | allergen |
2,5-pyridinedicarboxylic acid
2,5-Pyridinedicarboxylic acid: RN given refers to parent cpd. isocinchomeronic acid : A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 5. | 2.06 | 1 | 0 | pyridinedicarboxylic acid | |
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 2.13 | 1 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
diethylenetriamine
diethylenetriamine: RN given refers to parent cpd | 2.13 | 1 | 0 | polyazaalkane;
triamine | |
maltol
maltol: found in bark of young larch trees; isolated from Passiflora incarnata; possesses depressant properties in mice; potentiates hexobarbital-induced narcosis & inhibits spontaneous motor activity; structure | 2.06 | 1 | 0 | 4-pyranones | metabolite |
gamma-resorcylic acid
[no description available] | 2.06 | 1 | 0 | dihydroxybenzoic acid | metabolite |
hydantoins
Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4. | 2.41 | 1 | 0 | imidazolidine-2,4-dione | |
dipicolinic acid
dipicolinic acid : A pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6. | 2.06 | 1 | 0 | pyridinedicarboxylic acid | bacterial metabolite |
tropolone
Tropolone: A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS).. tropolone : A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. | 2.06 | 1 | 0 | alpha-hydroxy ketone;
cyclic ketone;
enol | bacterial metabolite;
fungicide;
toxin |
lysidine
lysidine: structure in first source; do not confuse with the imidazole-derivative known as lysidine. lysidine : Cytidine in which the 2-keto group on the cytosine ring is substituted by an epsilon-Llysyl residue. | 2.41 | 1 | 0 | | |
1,2-dihydroxynaphthalene
1,2-dihydroxynaphthalene: RN given refers to parent cpd | 2.06 | 1 | 0 | naphthalenediol | mouse metabolite |
8-aminoquinoline
[no description available] | 2.54 | 2 | 0 | | |
1,2-Dihydroquinolin-2-imine
[no description available] | 2.41 | 1 | 0 | aminoquinoline | |
dansyl chloride
dansyl chloride: RN given refers to unlabeled cpd | 2.11 | 1 | 0 | aminonaphthalene;
sulfonic acid derivative | |
2-hydroxy benzimidazole
2-hydroxy benzimidazole: structure in first source | 2.41 | 1 | 0 | | |
6-methyluracil
6-methyluracil: RN given refers to unlabeled cpd; structure. 6-methyluracil : A pyrimidone that is uracil with a methyl group at position 6. | 2.06 | 1 | 0 | pyrimidone | metabolite |
2-pyrrolecarboxylic acid
2-pyrrolecarboxylic acid: hypocalcemic action; structure. pyrrole-2-carboxylic acid : A pyrrolecarboxylic acid that is 1H-pyrrole carrying a carboxy substituent at position 2. | 2.06 | 1 | 0 | pyrrolecarboxylic acid | plant metabolite |
gamma-thujaplicin
2-hydroxy-5-isopropyl- 2,4,6-cycloheptatrienone: a metal chelating agent | 3.27 | 1 | 0 | cyclic ketone | |
4-methylimidazole
4-methylimidazole: RN given refers to parent cpd. 4-methylimidazole : Imidazole substituted at position 4 by a methyl group. | 2.41 | 1 | 0 | imidazoles | carcinogenic agent;
reaction intermediate |
8-hydroxy-2-methylquinoline
8-hydroxy-2-methylquinoline: structure in first source | 2.06 | 1 | 0 | hydroxyquinoline | |
2-(2'-hydroxyphenyl)benzoxazole
2-(2'-hydroxyphenyl)benzoxazole: structure in first source. 2-(1,3-benzoxazol-2-yl)phenol : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted by a 2-hydroxyphenyl group at position 2. | 2.06 | 1 | 0 | 1,3-benzoxazoles;
phenols | geroprotector |
3-hydroxypicolinic acid
[no description available] | 2.06 | 1 | 0 | monocarboxylic acid;
monohydroxypyridine | MALDI matrix material |
2-hydroxybenzothiazole
2-hydroxybenzothiazole : Benzothiazole substituted with a hydroxy group at the 2-position. | 2.41 | 1 | 0 | benzothiazole | |
3-hydroxy-1-benzopyran-2-one
3-hydroxycoumarin: Photoprotective from sea urchin gametes and embryonic cells; structure in first source. hydroxycoumarin : Any coumarin carrying at least one hydroxy substituent. | 3.35 | 1 | 0 | hydroxycoumarin | |
8-hydroxyquinoline N-oxide
8-hydroxyquinoline N-oxide : A quinoline N-oxide carrying a hydroxy substituent at position 8. | 2.06 | 1 | 0 | monohydroxyquinoline;
quinoline N-oxide | |
clopyralid
clopyralid : An organochlorine pesticide having a 3,6-dichlorinated picolinic acid structure. | 2.06 | 1 | 0 | organochlorine pesticide;
pyridines | herbicide |
2-(2-hydroxyphenyl)benzothiazole
2-(1,3-benzothiazol-2-yl)phenol : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2. | 2.06 | 1 | 0 | benzothiazoles;
phenols | geroprotector |
ethyl maltol
ethyl maltol: structure given in first source | 2.06 | 1 | 0 | pyranone | |
plutonium
Plutonium: A naturally radioactive element of the actinide metals series. It has the atomic symbol Pu, and atomic number 94. Plutonium is used as a nuclear fuel, to produce radioisotopes for research, in radionuclide batteries for pacemakers, and as the agent of fission in nuclear weapons. | 2.54 | 2 | 0 | actinoid atom;
f-block element atom | |
terbium
Terbium: An element of the rare earth family of metals. It has the atomic symbol Tb, atomic number 65, and atomic weight 158.92. | 2.13 | 1 | 0 | f-block element atom;
lanthanoid atom | |
titanium
Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures. | 7.05 | 1 | 0 | titanium group element atom | |
americium
Americium: A completely man-made radioactive actinide with atomic symbol Am, and atomic number 95. Its valence can range from +3 to +6. Because of its nonmagnetic ground state, it is an excellent superconductor. It is also used in bone mineral analysis and as a radiation source for radiotherapy. | 2.21 | 1 | 0 | actinoid atom;
f-block element atom | |
curium
Curium: A radioactive actinide with atomic symbol Cm, and atomic number 96. Thirteen curium isotopes have been produced with mass numbers ranging from 238-250. Its valence can be +3 or +4. It is intensely radioactive and decays by alpha-emission. | 2.21 | 1 | 0 | actinoid atom;
f-block element atom | |
europium
Europium: An element of the rare earth family of metals. It has the atomic symbol Eu, atomic number 63, and atomic weight 152. Europium is used in the form of its salts as coatings for cathode ray tubes and in the form of its organic derivatives as shift reagents in NMR spectroscopy. | 2.49 | 2 | 0 | f-block element atom;
lanthanoid atom | |
gadolinium
Gadolinium: An element of the rare earth family of metals. It has the atomic symbol Gd, atomic number 64, and atomic weight 157.25. Its oxide is used in the control rods of some nuclear reactors. | 2.13 | 1 | 0 | f-block element atom;
lanthanoid atom | |
uranium
Uranium: A radioactive element of the actinide series of metals. It has an atomic symbol U, atomic number 92, and atomic weight 238.03. U-235 is used as the fissionable fuel in nuclear weapons and as fuel in nuclear power reactors. | 2.21 | 1 | 0 | actinoid atom;
f-block element atom;
monoatomic uranium | |
zirconium
Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr. | 2.11 | 1 | 0 | titanium group element atom | |
2,3-dihydroxypyridine
2,3-dihydroxypyridine: affects thyroid function. pyridine-2,3-diol : A dihydroxypyridine in which the two hydroxy groups are located at positions 2 and 3. | 2.06 | 1 | 0 | dihydroxypyridine | |
acetylacetone
acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. | 2.06 | 1 | 0 | beta-diketone | |
transferrin
Transferrin: An iron-binding beta1-globulin that is synthesized in the LIVER and secreted into the blood. It plays a central role in the transport of IRON throughout the circulation. A variety of transferrin isoforms exist in humans, including some that are considered markers for specific disease states. | 2.21 | 1 | 0 | | |
enterobactin
[no description available] | 2.13 | 1 | 0 | catechols;
crown compound;
macrotriolide;
polyphenol | bacterial metabolite;
siderophore |
5-fluorosalicylic acid
5-fluorosalicylic acid: structure given in first source; product from action of alkaline phosphatase on 5-fluorosalicyl phosphate; forms highly fluorescent terbium ternary complex | 2.06 | 1 | 0 | | |
pyromeconic acid
pyromeconic acid: from herb Dengzhanhua; structure | 2.74 | 3 | 0 | | |
serinol
serinol: RN given refers to cpd without isomeric designation | 2.41 | 1 | 0 | | |
2-hydroxypyrimidine
pyrimidone : A pyrimidine carrying one or more oxo substituents.. pyrimidin-2-ol : The hydroxypyrimidine that is pyrimidine mono-substituted at C-2 by a hydroxy group. | 2.06 | 1 | 0 | hydroxypyrimidine | electron donor;
Lewis base |
allomaltol
allomaltol: structure in first source | 2.06 | 1 | 0 | | |
2,2'-dipicolylamine
2,2'-dipicolylamine: structure in first source | 2.06 | 1 | 0 | | |
8-hydroxy-2-quinolinecarboxylic acid
[no description available] | 2.54 | 2 | 0 | quinolines | |
3-chloro-2,4-pentanedione
3-chloro-2,4-pentanedione: structure in first source | 2.06 | 1 | 0 | | |
alpha-thujaplicin
alpha-thujaplicin: structure in first source | 3.27 | 1 | 0 | | |
1-phenylimidazole
1-phenylimidazole: ligand for cytochrome P-450 & inhibitor of microsomal oxidation | 2.41 | 1 | 0 | | |
1-methyl-2-ethyl-3-hydroxypyridin-4-one
[no description available] | 2.41 | 2 | 0 | | |
cp094
1,2-diethyl-3-hydroxypyridin-4-one: structure given in first source | 2.41 | 2 | 0 | | |
cp 102
CP 102: structure in first source | 1.98 | 1 | 0 | | |
1-methyl-3-hydroxypyridine-2-one
[no description available] | 2.54 | 2 | 0 | | |
cp 41
CP 41: structure in first source | 1.98 | 1 | 0 | | |
1-ethyl-2-methyl-3-hydroxypyridin-4-one
[no description available] | 2.41 | 2 | 0 | | |
1-(ethan-1-ol)-2-methyl-3-hydroxypyridin-4-one
1-(ethan-1-ol)-2-methyl-3-hydroxypyridin-4-one: structure given in first source | 1.98 | 1 | 0 | | |
2-acetylcyclopentanone
2-acetylcyclopentanone: an enolate-forming compound that is protective against electrophilic drugs; structure in first source | 2.54 | 2 | 0 | | |
3,4-dihydroxypyridine
3-hydroxy-4(1H)-pyridone: structure in first source | 1.98 | 1 | 0 | 4-pyridones;
dihydroxypyridine | |
1-propyl-2-methyl-3-hydroxypyrid-4-one
[no description available] | 1.98 | 1 | 0 | | |
beta-lipotropin, gln(9)-
corynebactin: a triscatechol derivative of a cyclic triserine lactone; siderophore synthesized by Corynebacterium diphtheriae. corynebactin : A crown compound that is enterobactin in which the pro-R hydrogens at positions 2, 6 and 10 of the trilactone backbone are replaced by methyl groups, and in which a glycine spacer separates the trilactone backbone from each of the catecholamide arms. It is the endogenous siderophore of Bacillus subtilis, used for the acquisition of iron. | 2.13 | 1 | 0 | catechols;
crown compound;
macrocyclic lactone | bacterial metabolite;
metabolite |
salicylideneaniline
salicylideneaniline: structure in first source | 3.27 | 1 | 0 | | |
8-(methylsulfonylamino)quinoline
8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source | 2.54 | 2 | 0 | | |
sb 203580
[no description available] | 3.27 | 1 | 0 | imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent |
moracin m
moracin M: has been isolated from Morus alba L.; structure in first source | 3.27 | 1 | 0 | benzofurans | |
1,4,7-triazacyclononane
1,4,7-triazacyclononane: structure given in first source | 2.49 | 2 | 0 | azacycloalkane;
crown amine;
saturated organic heteromonocyclic parent | |
4-n-butylresorcinol
4-n-butylresorcinol: structure in first source | 4.22 | 2 | 0 | resorcinols | |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 2.07 | 1 | 0 | | |
mimosine
L-mimosine : An L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica. | 3.35 | 1 | 0 | 4-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid | EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
arbutin
hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. | 4.22 | 2 | 0 | beta-D-glucoside;
monosaccharide derivative | Escherichia coli metabolite;
plant metabolite |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 4.22 | 2 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
6-hydroxyindole
6-hydroxyindole: structure in first source | 3.35 | 1 | 0 | | |
trans-4-coumaric acid
hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. | 4.22 | 2 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
methylthiouracil
Methylthiouracil: A thiourea antithyroid agent that inhibits the synthesis of thyroid hormone. It is used in the treatment of hyperthyroidism. | 2.06 | 1 | 0 | pyrimidone | |
4,6-dimethyl-2-thiopyrimidine
4,6-dimethyl-2-thiopyrimidine: structure | 2.06 | 1 | 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. | 3.35 | 1 | 0 | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
2-mercaptobenzimidazole
2-mercaptobenzimidazole: purine synthesis antimetabolite; RN given refers to parent cpd | 2.41 | 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. | 3.35 | 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 |
thiouracil
Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.. thiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group. | 2.06 | 1 | 0 | nucleobase analogue;
thiocarbonyl compound | antithyroid drug;
metabolite |
thiohydantoins
Thiohydantoins: Sulfur analogs of hydantoins with one or both carbonyl groups replaced by thiocarbonyl groups. | 2.41 | 1 | 0 | | |
4-thiouracil
[no description available] | 2.06 | 1 | 0 | | |
3-hydroxy-2-methyl-4h-pyran-4-thione
3-hydroxy-2-methyl-4H-pyran-4-thione: inhibits Bla2 beta-lactamase; structure in first source | 2.06 | 1 | 0 | | |
luteolin
[no description available] | 3.35 | 1 | 0 | 3'-hydroxyflavonoid;
tetrahydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist |
hispidol
hispidol : A hydroxyaurone that is aurone substituted by hydroxy groups at positions 6 and 4' respectively. | 3.27 | 1 | 0 | hydroxyaurone | plant metabolite |
esculetin
esculetin: used in filters for absorption of ultraviolet light; structure. esculetin : A hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. | 3.35 | 1 | 0 | hydroxycoumarin | antioxidant;
plant metabolite;
ultraviolet filter |
trans-2,3',4,5'-tetrahydroxystilbene
trans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrol | 4.22 | 2 | 0 | stilbenoid | |
methyl-p-coumarate
methyl-p-coumarate: structure in first source. 4-coumaric acid methyl ester : A cinnamate ester that is the methyl ester of 4-coumaric acid. | 4.22 | 2 | 0 | 4-coumaric acid methyl ester | |
mulberroside a
mulberroside A: structure in first source | 3.27 | 1 | 0 | glycoside;
stilbenoid | |
aurone
[no description available] | 2.07 | 1 | 0 | aurones;
cyclic ketone | |
morachalcone a
morachalcone A: tyrosinase inhibitor from the wood of Artocarpus heterophyllus; structure in first source | 3.27 | 1 | 0 | chalcones | |
ginsenoside rb1
[no description available] | 3.27 | 1 | 0 | ginsenoside;
glycoside;
tetracyclic triterpenoid | anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger |
2,4,2',4'-Tetrahydroxychalcone
[no description available] | 3.27 | 1 | 0 | chalcones | |
4-(1-phenylethyl)resorcinol
4-(1-phenylethyl)resorcinol: a depigmenting agent for treatment of solar lentigines; structure in first source | 3.35 | 1 | 0 | | |
3-hydroxyphloretin
3-hydroxyphloretin: compound from Formosan apple that reduces tyrosinase activity in human epidermal melanocytes; structure in first source | 3.35 | 1 | 0 | chalcones | |
subamolide a
subamolide A: cytotoxic constituent of the stems of Cinnamomum subavenium; structure in first source | 4.22 | 2 | 0 | | |
feruloyldopamine
feruloyldopamine: a dopamine metabolite isolated from tomatoes after infection by Pseudomonas syringae; structure in first source | 3.35 | 1 | 0 | | |
nitrophenols
Nitrophenols: PHENOLS carrying nitro group substituents. | 2.41 | 1 | 0 | | |
2,4-diaminohypoxanthine
2,4-diaminohypoxanthine: do not confuse abbreviation DAHP with various dehydro-deoxy-arabino-heptulosonic acid phosphates which also use DAHP; RN given refers to parent cpd; structure | 2.06 | 1 | 0 | hydroxypyrimidine | |
pyridine-2-aldoxime
pyridine-2-aldoxime: RN given refers to parent cpd | 1.98 | 1 | 0 | | |
4,5-dihydro-1h-1,2,4-triazol-5-one
4,5-dihydro-1H-1,2,4-triazol-5-one: a 1,2,4-triazole derivative; structure given in first source | 2.41 | 1 | 0 | | |