| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
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. | 2.48 | 2 | 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 |
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. | 2.31 | 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] | 2.15 | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
gallic acid
gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | 11.85 | 81 | 0 | trihydroxybenzoic acid | antineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite |
histamine
[no description available] | 2 | 1 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 2.25 | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
nitrates
Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical. | 2.05 | 1 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | |
pyrogallol
benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | 2.49 | 2 | 0 | benzenetriol;
phenolic donor | plant metabolite |
vanillin
Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | 2.1 | 1 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
glyburide
Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide. glyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group. | 2 | 1 | 0 | monochlorobenzenes;
N-sulfonylurea | anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent |
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. | 2.05 | 1 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
potassium chloride
Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion. | 2 | 1 | 0 | inorganic chloride;
inorganic potassium salt;
potassium salt | fertilizer |
promethazine
Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety. | 1.94 | 1 | 0 | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative |
propyl gallate
Propyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils. | 7.75 | 3 | 0 | trihydroxybenzoic acid | |
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. | 2.15 | 1 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
tetraethylammonium
Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90) | 2 | 1 | 0 | quaternary ammonium ion | |
estrone
Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 2.31 | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
carbon tetrachloride
Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. | 6.94 | 1 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
4-nitroquinoline-1-oxide
4-nitroquinoline N-oxide : A quinoline N-oxide carrying a nitro substituent at position 4. | 2.15 | 1 | 0 | C-nitro compound;
quinoline N-oxide | carcinogenic agent |
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 2.15 | 1 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
furaldehyde
Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. | 2.05 | 1 | 0 | aldehyde;
furans | Maillard reaction product;
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. | 3.86 | 11 | 0 | gallate ester | anti-inflammatory agent;
antioxidant;
plant metabolite |
3,4,5-trimethoxybenzoic acid
3,4,5-trimethoxybenzoic acid: RN given refers to parent cpd; structure. 3,4,5-trimethoxybenzoic acid : A benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. | 2.05 | 1 | 0 | benzoic acids;
methoxybenzenes | human urinary metabolite;
human xenobiotic metabolite;
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. | 1.98 | 1 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
ethyl acetate
ethyl acetate : The acetate ester formed between acetic acid and ethanol. | 2.5 | 2 | 0 | acetate ester;
ethyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite |
catechin
Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | 3.45 | 7 | 0 | catechin | antioxidant;
plant metabolite |
flavanone
flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source. flavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4. | 2.1 | 1 | 0 | flavanones | |
phloretic acid
phloretic acid: structure. N-hydroxysuccinimide ester : An ester of N-hydroxysuccinimide.. phloretic acid : A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position. | 2.15 | 1 | 0 | hydroxy monocarboxylic acid | plant metabolite |
oleanolic acid
[no description available] | 2.06 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
hematoxylin
Hematoxylin: A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink. | 2.33 | 2 | 0 | organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol | histological dye;
plant metabolite |
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. | 2.07 | 1 | 0 | benzoic acids;
dimethoxybenzene;
phenols | plant metabolite |
paeonol
paeonol: structure | 2.31 | 1 | 0 | methoxybenzenes;
phenols | metabolite |
n-butyl gallate
[no description available] | 2.48 | 2 | 0 | | |
lauryl gallate
[no description available] | 3.3 | 6 | 0 | gallate ester | |
dithiothreitol
1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. | 2.1 | 1 | 0 | 1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol | chelator;
human metabolite;
reducing agent |
osmium
Osmium: A very hard, gray, toxic, and nearly infusible metal element, atomic number 76, atomic weight 190.2, symbol Os. | 2.35 | 2 | 0 | iron group element atom;
platinum group metal atom | |
osmium tetroxide
Osmium Tetroxide: (T-4)-Osmium oxide (OsO4). A highly toxic and volatile oxide of osmium used in industry as an oxidizing agent. It is also used as a histological fixative and stain and as a synovectomy agent in arthritic joints. Its vapor can cause eye, skin, and lung damage.. osmium tetroxide : An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds. | 2.38 | 2 | 0 | osmium coordination entity | fixative;
histological dye;
oxidising agent;
poison |
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2.5 | 2 | 0 | benzenes;
phenyl acetates | |
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). | 2.11 | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
[no description available] | 1.99 | 1 | 0 | chromanol;
monocarboxylic acid;
phenols | antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor |
octyl gallate
[no description available] | 2.94 | 4 | 0 | gallate ester | food antioxidant;
hypoglycemic agent;
plant metabolite |
glucose, (beta-d)-isomer
beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages. | 5.07 | 12 | 0 | D-glucopyranose | epitope;
mouse metabolite |
ursolic acid
[no description available] | 2.31 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | geroprotector;
plant metabolite |
epigallocatechin gallate
epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. | 2.73 | 3 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent. 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions. | 2.78 | 3 | 0 | gallate ester;
galloyl beta-D-glucose | anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger |
epicatechin
(-)-epicatechin : A catechin with (2R,3R)-configuration. | 2.1 | 1 | 0 | catechin;
polyphenol | antioxidant |
corilagin
corilagin: isolated from Geranii herba. corilagin : An ellagitannin with a hexahydroxydiphenoyl group bridging over the 3-O and 6-O of the glucose core. | 4.44 | 6 | 0 | ellagitannin;
gallate ester | antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug |
arjunolic acid
arjunolic acid: oleanane type; isol from Cochlospermum tinctorium (Bixaceae); structure given in first source; RN given refers to (2alpha,3beta,4alpha)-isomer; RN for cpd without isomeric designation not avail 12/89. arjunolic acid : A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). Isolated from Symplocos lancifolia and Juglans sinensis, it exhibits antioxidant and antimicrobial activities. | 3.35 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | antibacterial agent;
antifungal agent;
antioxidant;
metabolite |
casuarictin
sanguiin H 11: regulates chemotaxis of neutrophil; from plant, Sanguisorba officinalis; structure in first source | 2 | 1 | 0 | tannin | |
3,5-dihydroxy-4-methoxybenzoic acid
3,5-dihydroxy-4-methoxybenzoic acid: catechol methyltransferase inhibitor; N1 same as NM | 2.25 | 1 | 0 | trihydroxybenzoic acid | |
nonyl gallate
[no description available] | 2.05 | 1 | 0 | | |
cobalt
Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27. | 2.38 | 2 | 0 | cobalt group element atom;
metal allergen | micronutrient |
epicatechin gallate
epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea. (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. | 2.48 | 2 | 0 | catechin;
gallate ester;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
aromadedrin
aromadedrin: inhibits protein kinase C; the dihydro makes it a flavone rather than a flavonol. (+)-dihydrokaempferol : A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions. | 1.98 | 1 | 0 | 4'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone | metabolite |
procyanidin b2-3,3'-di-o-gallate
procyanidin B2-3,3'-di-O-gallate: structure in first source | 2 | 1 | 0 | flavonoid oligomer | |
glucogallin
glucogallin: RN given refers to (D-glucose)-isomer | 3.35 | 1 | 0 | | |
procyanidin b3
procyanidin B3 : A proanthocyanidin consisting of two molecules of (+)-catechin joined by a bond between positions 4 and 8' in alpha-configuration. It can be found in red wine, in barley, in beer, in peach or in Jatropha macrantha, the Huanarpo Macho. | 2.1 | 1 | 0 | biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin | anti-inflammatory agent;
antioxidant;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
metabolite |
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. | 2.07 | 1 | 0 | | |
5-hydroxymethylfurfural
5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. | 2.05 | 1 | 0 | arenecarbaldehyde;
furans;
primary alcohol | indicator;
Maillard reaction product |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 2.11 | 1 | 0 | | |
lupeol
[no description available] | 2.01 | 1 | 0 | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory drug;
plant metabolite |
1,2,6-tri-o-galloyl-beta-d-glucopyranose
1,2,6-tri-O-galloyl-beta-D-glucopyranose: from Terminalia chebula fruits, effective against multidrug-resistant uropathogens; structure in first source. 1,2,6-tris-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having the galloyl groups in the 1-, 2- and 6-positions. | 2 | 1 | 0 | gallate ester;
galloyl beta-D-glucose | |
theasinensin a
theasinensin A: a tea polyphenol formed from (-)-epigallocatechin gallate, suppresses antibiotic resistance of methicillin-resistant Staphylococcus aureus. theasinensin A : A biflavonoid that is obtained by coupling of two molecules of (-)-epigallocatechin 3-gallate resulting in a bond between positions C-2 of the hydroxyphenyl ring. It is a natural product found in oolong tea. | 2 | 1 | 0 | biflavonoid;
gallate ester;
proanthocyanidin | anti-inflammatory agent;
anticoronaviral agent;
apoptosis inducer;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
melanin synthesis inhibitor;
plant metabolite |
Chebulagic acid
[no description available] | 2 | 1 | 0 | tannin | |
eugeniin
eugeniin: structure in first source. eugeniin : An ellagitannin isolated from the dried flower buds of Eugenia caryophyllata. It exhibits alpha-glucosidase inhibitory activity and antiviral activity against acyclovir and phosphonoacetic acid (PAA)-resistant herpes simplex virus type 1 (HSV-1) as well as the wild-type HSV-1. | 2 | 1 | 0 | beta-D-glucoside;
ellagitannin;
gallate ester;
lactone | anti-HSV-1 agent;
antifungal agent;
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
Pedunculagin
pedunculagin: from the walnut (Juglans regia) pellicle | 2 | 1 | 0 | tannin | |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 2.07 | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.15 | 1 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
mupirocin
Mupirocin: A topically used antibiotic from a strain of Pseudomonas fluorescens. It has shown excellent activity against gram-positive staphylococci and streptococci. The antibiotic is used primarily for the treatment of primary and secondary skin disorders, nasal infections, and wound healing.. mupirocin : An alpha,beta-unsaturated ester resulting from the formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with the carboxy group of (2E)-4-[(2S)-tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoic acid in which the tetrahydropyranyl ring is substituted at positions 3 and 4 by hydroxy groups and at position 5 by a {(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl group. Originally isolated from the Gram-negative bacterium Pseudomonas fluorescens, it is used as a topical antibiotic for the treatment of Gram-positive bacterial infections. | 2.05 | 1 | 0 | alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol | antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor |
gamma-sitosterol
clionasterol : A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3. | 2.48 | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols | marine metabolite;
plant metabolite |
tenofovir
tenofovir (anhydrous) : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection. | 2.11 | 1 | 0 | nucleoside analogue;
phosphonic acids | antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor |
pentyl gallate
pentyl gallate: food and pharmaceutical antioxidant with ability of electron-donating; structure in first source | 2.8 | 3 | 0 | | |
morolic acid
morolic acid: from Pistacia terebinthus galls; structure in first source | 2.11 | 1 | 0 | | |
hydroxyphenethylferulate
hydroxyphenethylferulate: from the roots of Atropa acuminata (Solanaceae); structure in first source | 2.17 | 1 | 0 | hydroxycinnamic acid | |
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. | 2.1 | 1 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
glycosides
[no description available] | 2.47 | 2 | 0 | | |
chalcone
trans-chalcone : The trans-isomer of chalcone. | 2.11 | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
squalene
Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate | 2.41 | 2 | 0 | triterpene | human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
stilbenes
Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene. | 2.46 | 2 | 0 | stilbene | |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 2.83 | 3 | 0 | caffeic acid | geroprotector;
mouse metabolite |
terbinafine
[no description available] | 2.05 | 1 | 0 | acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor |
coniferyl alcohol
coniferyl alcohol: structure. coniferol : A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. | 2.07 | 1 | 0 | guaiacols;
phenylpropanoid | animal metabolite;
monolignol;
mouse metabolite;
pheromone;
plant metabolite;
volatile oil component |
chlorogenic acid
caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | 2.15 | 1 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
thiourea
Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur. | 2.1 | 1 | 0 | one-carbon compound;
thioureas;
ureas | antioxidant;
chromophore |
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) | 2.13 | 1 | 0 | | |
fusidic acid
Fusidic Acid: An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed). It acts by inhibiting translocation during protein synthesis.. fusidic acid : A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum. | 2.05 | 1 | 0 | 11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor |
Geraniin
[no description available] | 2 | 1 | 0 | tannin | |
telaprevir
[no description available] | 2.11 | 1 | 0 | cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic |
cobaltous chloride
cobaltous chloride: RN given refers to unlabeled cpd; RN in Chemline for cobalt trichloride: 10241-04-0; RN for 60-labeled cpd: 14543-09-0; RN for 57-labeled cpd: 164113-89-1; RN for 58-labeled cpd: 29377-09-1; structure. cobalt dichloride : A cobalt salt in which the cobalt metal is in the +2 oxidation state and the counter-anion is chloride. It is used as an indicator for water in desiccants. | 1.98 | 1 | 0 | cobalt salt;
inorganic chloride | allergen;
calcium channel blocker;
sensitiser;
two-colour indicator |
cytellin
cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982 | 2.96 | 4 | 0 | | |
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. | 2.25 | 1 | 0 | organic sodium salt | detergent;
protein denaturant |
2-mercaptoacetate
2-mercaptoacetate: RN given refers to parent cpd | 2.1 | 1 | 0 | monocarboxylic acid anion | |
gallocatechin-3-gallate
gallocatechin gallate: structure in first source. (+)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-gallocatechin. | 2.06 | 1 | 0 | catechin;
gallate ester;
polyphenol | plant metabolite |
quercetin
[no description available] | 3.56 | 8 | 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 |
dinoprostone
prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 2.17 | 1 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
luteolin
[no description available] | 2.43 | 2 | 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 |
quercitrin
[no description available] | 2.1 | 1 | 0 | alpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
sinapyl alcohol
sinapyl alcohol: has anti-inflammatory and antinociceptive properties; structure in first source. trans-sinapyl alcohol : Sinapyl alcohol in which the configuration of the propenyl double bond is E. It is one of the main monolignols.. sinapyl alcohol : A primary alcohol, being cinnamyl alcohol hydroxylated at C-4 and methoxylated at C-3 and -5. | 2.07 | 1 | 0 | sinapyl alcohol | monolignol |
feruloyltyramine
feruloyltyramine: structure given in first source; isolated from Cannabis sativa seeds, roots, leaves, and resin; induces hypothermia and motor incoordination in mice; moupinamide is (E)-isomer | 2.17 | 1 | 0 | tyramines | metabolite |
luteolin-7-glucoside
luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum. luteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | 2.1 | 1 | 0 | beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antioxidant;
plant metabolite |
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | 2.05 | 1 | 0 | disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone | antioxidant;
metabolite |
kaempferol
[no description available] | 2.44 | 2 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
amphotericin b
Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections. | 2.05 | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
sulfuretin
sulfuretin: the chalcone C ring closes into a 5 instead of the more typical 6 membered ring leaving a phenyl methane at the 2 position instead of the typical phenyl | 2.11 | 1 | 0 | 1-benzofurans | |
agathisflavone
agathisflavone: bis-apigenin coupled at 6 and 8 positions; isolated from the plant Canarium manii; has hepatoprotective activity against carbon tetrachloride-induced hepatotoxicity. agathisflavone : A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-6 and C-8 of the two chromene rings. | 2.17 | 1 | 0 | biaryl;
biflavonoid;
hydroxyflavone | antineoplastic agent;
antiviral agent;
hepatoprotective agent;
metabolite |
myricetin
[no description available] | 2.51 | 2 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
ellagic acid
[no description available] | 3.18 | 5 | 0 | catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent |
astragalin
kaempferol-3-O-glucoside: isolated from the pit of Mahkota dewa; structure in first source. kaempferol 3-O-beta-D-glucoside : A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. | 2.1 | 1 | 0 | beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone | plant metabolite;
trypanocidal drug |
kaempferol 3-o-rhamnoside
kaempferol 3-O-rhamnoside: from apple (Malus domestica) leaves; structure in first source. afzelin : A glycosyloxyflavone that is kaempferol attached to an alpha-L-rhamnosyl residue at position 3 via a glycosidic linkage. | 2.1 | 1 | 0 | glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | anti-inflammatory agent;
antibacterial agent;
plant metabolite |
fustin
fustin : A dihydroflavonol that is the 2,3-dihydro derivative of fisetin.. tetrahydroxyflavanone : A hydroxyflavanone with atleast four hydroxy substituents. | 2.11 | 1 | 0 | | |
methyl brevifolincarboxylate
methyl brevifolincarboxylate: isolated from Phyllanthus urinaria; structure in first source. methyl brevifolincarboxylate : An organic heterotricyclic compound that is 1,2,3,5-tetrahydrocyclopenta[c]isochromene substituted by hydroxy groups at positions 7, 8 and 9, oxo groups at positions 3 and 5 and a methoxycarbonyl group at position 1. Isolated from Phyllanthus urinaria and Phyllanthus niruri, it exhibits vasorelaxant activity. | 2.17 | 1 | 0 | cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols | EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent |
squamosamide
squamosamide: natural compound from Annoma squamosa; FLZ is the synthetic cyclic analog; structure in first source | 2.17 | 1 | 0 | | |
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. | 2.1 | 1 | 0 | cysteinium | fundamental metabolite |
pradimicin a
pradimicin A: from actinomycete strain No. P157-2; has inhibitory effect against HIV in vitro; structure given in first source. pradimicin A : A member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557). | 2.11 | 1 | 0 | aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol | |
3,3'-di-o-methylellagic acid
3,3'-di-O-methylellagic acid: structure given in first source | 2.17 | 1 | 0 | | |
quercetin-3-o-alpha-l-rhamnopyranoside
quercetin-3-O-alpha-L-rhamnopyranoside: from Rhododendron ovatum Planch; structure in first source | 2.04 | 1 | 0 | | |
beta-escin
[no description available] | 2.06 | 1 | 0 | | |
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). | 2.07 | 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 |
glucosyringic acid
[no description available] | 2.47 | 2 | 0 | | |
furosin
furosin: an ellagitannin from extract of leaves & stems of Phyllanthus sellowianus; structure given in first source | 2 | 1 | 0 | | |
lyoniside
lyoniside: see also eleutherosides & syringin for eleutheroside B: 118-34-3; RN given refers to (3beta)-isomer | 2.42 | 2 | 0 | | |
tannins
Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing. | 3.68 | 2 | 0 | | |
oxypaeoniflora
oxypaeoniflora: from Paeonia lactiflora | 2.31 | 1 | 0 | 4-hydroxybenzoate ester;
beta-D-glucoside;
bridged compound;
cyclic acetal;
lactol;
monoterpene glycoside | plant metabolite |
benzoylpaeoniflorin
benzoylpaeoniflorin: from Paeonia lactiflora | 2.31 | 1 | 0 | | |
tetracycline
Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. | 2.05 | 1 | 0 | | |
salicylates
Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid. | 2.05 | 1 | 0 | monohydroxybenzoate | plant metabolite |
charybdotoxin
[no description available] | 2 | 1 | 0 | | |
chebulic acid
chebulic acid: from the ripe fruits of Terminalia chebula | 2.17 | 1 | 0 | | |
tetrahydroamentoflavone
tetrahydroamentoflavone: isolated from Semecarpus anacardium; structure in first source | 2.17 | 1 | 0 | | |
chebulinic acid
chebulinic acid: one of the allagitannins in the seeds of Euphoria longana; structure given in first source | 2.05 | 1 | 0 | | |
chebulagic acid
[no description available] | 2.05 | 1 | 0 | | |
peoniflorin
peoniflorin: from Radix and of Paeonia suffruticosa | 2.31 | 1 | 0 | | |
masticadienolic acid
masticadienolic acid: an antifungal agent from Pistacia terebinthus galls; structure in first source | 2.17 | 1 | 0 | | |
muramidase
Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17. | 2.47 | 2 | 0 | | |