| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
4-hydroxybenzoic acid
4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | 2.44 | 2 | 0 | monohydroxybenzoic acid | algal metabolite;
plant metabolite |
benzaldehyde
[no description available] | 2.15 | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant 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. | 2.07 | 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 |
aminooxyacetic acid
Aminooxyacetic Acid: A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues.. (aminooxy)acetic acid : A member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues. | 2.05 | 1 | 0 | amino acid;
hydroxylamines;
monocarboxylic acid | anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent |
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). | 2.71 | 3 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
thiosulfates
Thiosulfates: Inorganic salts of thiosulfuric acid possessing the general formula R2S2O3.. thiosulfate(2-) : A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid. | 2.08 | 1 | 0 | divalent inorganic anion;
sulfur oxide;
sulfur oxoanion | human metabolite |
diphenyleneiodonium
diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor. dibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine. | 2.08 | 1 | 0 | organic cation | |
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid: a novel antagonist that selectively blocks P2 purinoceptor receptors; a useful tool to study co-transmission in tissues when ATP and coexisting neurotransmitters act in concert. 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid : An arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6. | 2.41 | 1 | 0 | arenesulfonic acid;
azobenzenes;
methylpyridines;
monohydroxypyridine;
organic phosphate;
pyridinecarbaldehyde | purinergic receptor P2X antagonist |
propanil
Propanil: A chlorinated anilide that is used as an herbicide.. propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat. | 2.15 | 1 | 0 | anilide;
dichlorobenzene | herbicide |
trimethoprim
Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. | 2.07 | 1 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
benzimidazole
1H-benzimidazole : The 1H-tautomer of benzimidazole. | 2.07 | 1 | 0 | benzimidazole;
polycyclic heteroarene | |
isatin
tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal; | 7.21 | 1 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
veratric acid
veratric acid: RN given refers to parent cpd; structure. 3,4-dimethoxybenzoic acid : A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3. | 2.46 | 2 | 0 | benzoic acids | allergen;
plant metabolite |
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) | 2.05 | 1 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
alpha-resorcylic acid
alpha-resorcylic acid: RN given refers to parent cpd. 3,5-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 5. | 2.03 | 1 | 0 | dihydroxybenzoic acid;
resorcinols | metabolite |
methyl gallate
methyl gallate: has both immunosuppressive and phytogenic antineoplastic activities; isolated from Acer saccharinum. methyl 3,4,5-trihydroxybenzoate : A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties. | 2.03 | 1 | 0 | gallate ester | anti-inflammatory agent;
antioxidant;
plant 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. | 2.03 | 1 | 0 | paraben | antifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite |
4-anisic acid
4-methoxybenzoic acid: structure in first source. 4-methoxybenzoic acid : A methoxybenzoic acid substituted with a methoxy group at position C-4. | 2.07 | 1 | 0 | methoxybenzoic acid | plant metabolite |
anisyl alcohol
anisyl alcohol: structure given in first source | 2.01 | 1 | 0 | benzyl alcohols | |
1-hydroxyphthalazine
1-hydroxyphthalazine: RN given refers to cpd with unspecified locants; do not confuse with cpd phthalazinol RN: 56611-65-5 | 2.07 | 1 | 0 | phthalazines | |
piperonal
piperonal: has been used as a pediculicide; structure. piperonal : An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. | 2.52 | 2 | 0 | arenecarbaldehyde;
benzodioxoles | fragrance;
insect repellent;
plant metabolite |
vanillic acid
Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. | 2.96 | 4 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
methyl 4-anisate
methyl 4-anisate: volatile biomarker of Mycobacterium tuberculosis; structure in first source. methyl p-anisate : A benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol. | 2.03 | 1 | 0 | benzoate ester;
monomethoxybenzene | |
syringic acid
syringic acid: RN given refers to parent cpd; structure in third source. syringic acid : A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid. | 2.46 | 2 | 0 | benzoic acids;
dimethoxybenzene;
phenols | plant metabolite |
congo red
Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS.. Congo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0. | 2.07 | 1 | 0 | bis(azo) compound | |
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 2.08 | 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 |
isovanillic acid
3-hydroxy-4-methoxybenzoic acid : A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. | 2.03 | 1 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | antibacterial agent;
plant metabolite |
3,4,5-trimethoxybenzamide
[no description available] | 2.03 | 1 | 0 | | |
methyl vanillate
methyl vanillate: isolated from Hovenia dulcis. methyl vanillate : A benzoate ester that is the methyl ester of vanillic acid. | 2.03 | 1 | 0 | aromatic ether;
benzoate ester;
phenols | antioxidant;
plant metabolite |
4-anisaldehyde
4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. | 2.07 | 1 | 0 | benzaldehydes | bacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite |
2-(n-cyclohexylamino)ethanesulfonic acid
2-(N-cyclohexylamino)ethanesulfonic acid: RN given refers to parent cpd. N-cyclohexyl-2-aminoethanesulfonic acid : An alkanesulfonic acid that is cyclohexanamine in which one of the amino hydrogens is substituted by a 2-sulfoethyl group. It is used as a buffer (pH range of 8.6-10.0) for studying pH-dependent processes in enzymology. | 2.6 | 1 | 0 | alkanesulfonic acid;
secondary aliphatic amine | Good's buffer substance |
3-methoxysalicylic acid
2-hydroxy-3-methoxybenzoic acid: structure in first source | 2.03 | 1 | 0 | methoxysalicylic acid | metabolite |
methyl syringate
methyl syringate : A benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. | 2.03 | 1 | 0 | benzoate ester;
dimethoxybenzene;
phenols | plant metabolite |
1h-benzotriazole-5-carboxylic acid
1H-benzotriazole-5-carboxylic acid: structure given in first source | 2.07 | 1 | 0 | | |
2-hydroxy-4-methoxy benzoic acid
[no description available] | 2.03 | 1 | 0 | methoxybenzoic acid | |
5-methoxysalicylic acid
5-methoxysalicylic acid: enhances intestinal absorption of insulin in rats; RN given refers to parent cpd. 5-methoxysalicylic acid : A methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. | 2.03 | 1 | 0 | methoxysalicylic acid | bacterial metabolite;
human urinary metabolite |
methyl 2,4-dihydroxy-3,6-dimethyl benzoate
atraric acid: structure in first source; from the stem barks of Newbouldia laevis | 2.03 | 1 | 0 | 4-hydroxybenzoate ester | |
methyl 3-(4-hydroxyphenyl)propionate
methyl 3-(4-hydroxyphenyl)propionate: a root-exuded compound responsible for biological nitrification inhibition by sorghum (Sorghum bicolor); structure in first source. methyl 3-(4-hydroxyphenyl)propionate : A methyl ester resulting from the formal condensation of the carboxy group of phloretic acid with methanol. It is a nitrification inhibitor and a plant growth regulator. | 2.03 | 1 | 0 | methyl ester;
phenols | nitrification inhibitor;
plant growth regulator |
karanjin
karanjin: structure given in first source | 2.05 | 1 | 0 | extended flavonoid | |
lignin
Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure. | 3.17 | 5 | 0 | | |
methyl 3,4-dihydroxybenzoate
[no description available] | 2.03 | 1 | 0 | catechols;
methyl ester | antioxidant;
neuroprotective agent;
plant metabolite |
6-Methoxy-2-naphthoic acid
[no description available] | 2.07 | 1 | 0 | naphthoic acid | |
lignans
Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed) | 2.07 | 1 | 0 | | |
e-z cinnamic acid
cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | 2.97 | 4 | 0 | cinnamic acid | plant metabolite |
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.46 | 2 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
5-benzimidazolecarboxylic acid
5-benzimidazolecarboxylic acid: structure in first source | 2.07 | 1 | 0 | | |
anethole
anethole: an isomer of estragole; structurally similar to CAPSAICIN; has some neurological and insecticidal and skin absorption effects; RN given refers to unspecified stereoisomer. anethole : A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4.. trans-anethole : The trans-stereoisomer of anethole. | 2.44 | 2 | 0 | anethole | flavouring agent |
ethyl cinnamate
ethyl cinnamate: a pine weevil antifeedant; structure in first source | 2.03 | 1 | 0 | alkyl cinnamate;
ethyl ester | |
isomethyleugenol
Methylation: Addition of methyl groups. In histo-chemistry methylation is used to esterify carboxyl groups and remove sulfate groups by treating tissue sections with hot methanol in the presence of hydrochloric acid. (From Stedman, 25th ed) | 2.07 | 1 | 0 | isomethyleugenol | |
piperine
piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. | 2.11 | 1 | 0 | benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide | food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 2.06 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
phenylalanine methyl ester
phenylalanine methyl ester: RN given refers to (L)-isomer. methyl L-phenylalaninate : An alpha-amino acid ester that is the methyl ester of L-phenylalanine. | 2.03 | 1 | 0 | alpha-amino acid ester;
L-phenylalanine derivative | |
1,1-diphenyl-2-picrylhydrazyl
1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974) | 2.07 | 1 | 0 | | |
1-propan-2-yl-5-benzotriazolecarboxylic acid
[no description available] | 2.07 | 1 | 0 | benzotriazoles | |
apigenin dimethylether
apigenin dimethylether: a dimethoxy analog of apigenin from roots of Rhus undulata and possibly other plants. apigenin 7,4'-dimethyl ether : A dimethoxyflavone that is the 7,4'-dimethyl ether derivative of apigenin. | 2.05 | 1 | 0 | dimethoxyflavone;
monohydroxyflavone | plant metabolite |
tectochrysin
tectochrysin: structure in first source. tectochrysin : A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. | 2.05 | 1 | 0 | monohydroxyflavone;
monomethoxyflavone | antidiarrhoeal drug;
antineoplastic agent;
plant metabolite |
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 |
mocetinostat
mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). | 2.06 | 1 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
phytosterols
Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond. | 2.01 | 1 | 0 | | |
chitosan
[no description available] | 2.05 | 1 | 0 | | |
chiniofon
Hydroxyquinolines: The 8-hydroxy derivatives inhibit various enzymes and their halogenated derivatives, though neurotoxic, are used as topical anti-infective agents, among other uses. | 2.03 | 1 | 0 | | |
piperidines
Piperidines: A family of hexahydropyridines. | 2.11 | 1 | 0 | | |
novobiocin
Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus. | 2.07 | 1 | 0 | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent |