| 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. | 3.08 | 1 | 0 | monohydroxybenzoic acid | algal 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. | 2.01 | 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 |
1-butanol
1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | 2.6 | 1 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
gallic acid
gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | 2.77 | 3 | 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 |
dimethyl sulfoxide
Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. | 2.6 | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
histamine
[no description available] | 2.21 | 1 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
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 | |
palmitic acid
Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid. | 2.46 | 2 | 0 | long-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
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). | 2.48 | 2 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
7,8-dihydroxyflavone
7,8-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's. | 3.08 | 1 | 0 | dihydroxyflavone | antidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist |
caffeine
[no description available] | 2.04 | 1 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
danthron
danthron: structure. chrysazin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8. | 3.63 | 9 | 0 | dihydroxyanthraquinone | apoptosis inducer;
plant metabolite |
diflunisal
Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN.. diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position. | 2.31 | 1 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
emodin
Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. | 8.78 | 184 | 0 | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor |
ether
Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups. | 1.99 | 1 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
fluorouracil
Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth. | 2.53 | 2 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
ethidium
Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA. | 2.04 | 1 | 0 | phenanthridines | fluorochrome;
intercalator |
hypericin
[no description available] | 3.88 | 3 | 0 | | |
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 1.98 | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
juglone
juglone: structure. juglone : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. | 2.07 | 1 | 0 | hydroxy-1,4-naphthoquinone | geroprotector;
herbicide;
reactive oxygen species generator |
lavendustin a
lavendustin A: from Streptomyces griseolavendus; structure given in first source | 3.08 | 1 | 0 | aromatic amine | |
lavendustin b
[no description available] | 3.08 | 1 | 0 | | |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source | 2.05 | 1 | 0 | chromones;
morpholines;
organochlorine compound | autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector |
vitamin k 3
Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 2.07 | 1 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
mitoxantrone
Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. | 2.05 | 1 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
quinone
benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). | 2.07 | 1 | 0 | 1,4-benzoquinones | cofactor;
human xenobiotic metabolite;
mouse metabolite |
1,2,5,8-tetrahydroxy anthraquinone
1,2,5,8-tetrahydroxy anthraquinone: structure in first source. quinalizarin : A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions. | 2.31 | 1 | 0 | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
sennoside a&b
[no description available] | 2.58 | 2 | 0 | | |
sodium fluoride
[no description available] | 2.05 | 1 | 0 | fluoride salt | mutagen |
stearic acid
octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics. | 2.07 | 1 | 0 | long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite |
triclosan
[no description available] | 2.03 | 1 | 0 | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic |
usnic acid
[no description available] | 4.09 | 4 | 0 | benzofurans | |
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. | 2.46 | 2 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
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. | 2.02 | 1 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
adenosine monophosphate
Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. | 3.08 | 1 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
mannitol
[no description available] | 2.03 | 1 | 0 | mannitol | allergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent |
dinitrofluorobenzene
Dinitrofluorobenzene: Irritants and reagents for labeling terminal amino acid groups.. 1-fluoro-2,4-dinitrobenzene : The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions. | 2.21 | 1 | 0 | C-nitro compound;
organofluorine compound | agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent |
alizarin
[no description available] | 2.95 | 4 | 0 | dihydroxyanthraquinone | chromophore;
dye;
plant metabolite |
arginine
Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. | 2.08 | 1 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
azobis(isobutyronitrile)
azobis(isobutyronitrile): blowing agent for elastomers & plastics; initiator for free radical reactions; structure | 2.03 | 1 | 0 | | |
acrylamide
[no description available] | 2.03 | 1 | 0 | acrylamides;
N-acylammonia;
primary carboxamide | alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin |
purpurin
purpurin: from Rubiaceae plants; structure in first source. purpurin : A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. | 2.31 | 1 | 0 | trihydroxyanthraquinone | biological pigment;
histological dye;
plant metabolite |
1,4-dihydroxyanthraquinone
1,4-dihydroxyanthraquinone: structure given in first source. quinizarin : A dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups | 2.97 | 4 | 0 | dihydroxyanthraquinone | dye |
1-aminoanthraquinone
[no description available] | 1.98 | 1 | 0 | | |
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. | 2.44 | 2 | 0 | | |
9,10-phenanthrenequinone
9,10-phenanthrenequinone: structure | 2 | 1 | 0 | phenanthrenes | |
2-methylanthraquinone
2-methylanthraquinone: form Morinda officinalis How.. 2-methylanthraquinone : An anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. | 2.72 | 3 | 0 | anthraquinone | |
2,6-dihydroxyanthraquinone
2,6-dihydroxyanthraquinone: structure given in first source. anthraflavic acid : A dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10. | 2.93 | 4 | 0 | dihydroxyanthraquinone | antimutagen;
plant metabolite |
9,10-anthraquinone
9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls. | 3.52 | 8 | 0 | anthraquinone | |
anthrone
anthrone: used in colorimetric determination of sugar & animal starch in body fluids; structure. anthrone : A member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9. | 2.06 | 1 | 0 | anthracenone | radical scavenger |
4-butyrolactone
4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 2.02 | 1 | 0 | butan-4-olide | metabolite;
neurotoxin |
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. | 2.06 | 1 | 0 | aldehyde;
furans | Maillard reaction product;
metabolite |
4-cymene
4-cymene: structure. p-cymene : A monoterpene that is toluene substituted by an isopropyl group at position 4. | 2.04 | 1 | 0 | monoterpene;
toluenes | human urinary metabolite;
plant metabolite;
volatile oil component |
anthrarufin
1,5-dihydroxyanthraquinone: used in ferric ion sensing as an inclusion complex with beta-cyclodextrin; structure in first source. anthrarufin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5. | 2.72 | 3 | 0 | dihydroxyanthraquinone | |
2-aminoanthraquinone
[no description available] | 1.98 | 1 | 0 | anthraquinone | |
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. | 2.13 | 1 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
1-hydroxyanthraquinone
[no description available] | 3.5 | 2 | 0 | monohydroxyanthraquinone | |
1,4-naphthoquinone
naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene.. 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. | 2 | 1 | 0 | 1,4-naphthoquinones | |
protocatechualdehyde
protocatechualdehyde: found in wheat grains, wheat seedlings, & other plants; RN given refers to parent cpd; see also rancinamycins; structure | 3.19 | 1 | 0 | dihydroxybenzaldehyde | |
ethyl acetate
ethyl acetate : The acetate ester formed between acetic acid and ethanol. | 2.6 | 1 | 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. | 2.83 | 3 | 0 | catechin | antioxidant;
plant metabolite |
naphthazarin
naphthazarin: fish toxin; isolated for first time from the walnut onigurmi, Juglans mandshurica maxim var. Sieboldiana Makino; structure. naphthazarin : A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups. | 2.07 | 1 | 0 | hydroxy-1,4-naphthoquinone | acaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite |
liriodenine
liriodenine: structure given in first source. liriodenine : An oxoaporphine alkaloid that is 4,5,6,6a-tetradehydronoraporphin-7-one substituted by a methylenedioxy group across positions 1 and 2. It is isolated from Annona glabra and has been shown to exhibit antimicrobial and cytotoxic activities. | 2.06 | 1 | 0 | alkaloid antibiotic;
cyclic ketone;
organic heteropentacyclic compound;
oxacycle;
oxoaporphine alkaloid | antifungal agent;
antimicrobial agent;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
rhein
[no description available] | 5.11 | 41 | 0 | dihydroxyanthraquinone | |
plumbagin
plumbagin: a superoxide anion generator. plumbagin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. | 2.07 | 1 | 0 | hydroxy-1,4-naphthoquinone;
phenols | anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite |
aloe emodin
aloe emodin: structure distinct from emodin; this does not mean emodin from aloe. Aloe emodin : A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. | 6.72 | 41 | 0 | aromatic primary alcohol;
dihydroxyanthraquinone | antineoplastic agent;
plant metabolite |
chrysophanic acid
chrysophanic acid: RN given refers to parent cpd; structure in Merck, 9th ed, #2260. chrysophanol : A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity. | 6.79 | 76 | 0 | dihydroxyanthraquinone | anti-inflammatory agent;
antiviral agent;
plant metabolite |
4-chromone
4-chromone: structure given in first source. chromone : The simplest member of the class of chromones that is 4H-chromene with an oxo group at position 4. | 2.25 | 1 | 0 | chromones;
enone | |
angelicin
angelicin: used as tranquillizer; sedative; or anticonvulsant; structure | 2.05 | 1 | 0 | furanocoumarin | |
1,2-naphthoquinone
naphthalene-1,2-dione: structure given in first source. 1,2-naphthoquinone : The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles. | 2 | 1 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist;
carcinogenic agent |
flavone
flavone: RN given refers to unlabeled cpd; structure given in first source. flavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. | 3.08 | 1 | 0 | flavones | metabolite;
nematicide |
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 2.11 | 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 |
tritriacontane
tritriacontane : A long-chain alkane consisting of an unbranched chain of 33 carbon atoms. | 2.05 | 1 | 0 | long-chain alkane | |
adenosine 5'-tetraphosphate
adenosine 5'-(pentahydrogen tetraphosphate) : A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase. | 3.08 | 1 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate | |
quercetin pentaacetate
quercetin pentaacetate: inhibits PGE2 production and COX-2 protein expression; structure in first source | 1.98 | 1 | 0 | | |
d-alpha tocopherol
Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | 1.98 | 1 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
2-methoxy-1,4-naphthoquinone
2-methoxy-1,4-naphthoquinone: isolated from Swertia calycina; structure in first source. 2-methoxy-1,4-naphthoquinone : A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis. | 2 | 1 | 0 | 1,4-naphthoquinones;
enol ether | antimicrobial agent;
metabolite;
plant metabolite |
trimethylolpropane trimethacrylate
trimethylolpropane trimethacrylate: acrylate derivative found in ultraviolet curing inks; structure in 1st source | 2.03 | 1 | 0 | carbonyl compound | |
streptomycin
[no description available] | 2.07 | 1 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
diadenosine tetraphosphate
P(1),P(4)-bis(5'-adenosyl) tetraphosphate : A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions. | 3.08 | 1 | 0 | diadenosyl tetraphosphate | Escherichia coli metabolite;
mouse metabolite |
limonene
Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA).. limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. | 2.04 | 1 | 0 | cycloalkene;
p-menthadiene | human metabolite |
silver
Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA. | 2.61 | 2 | 0 | copper group element atom;
elemental silver | Escherichia coli metabolite |
potassium nitrate
potassium nitrate: RN given refers to cpd with MF of K-HNO3; when combined with charcoal and sulfur it can form EXPLOSIVE AGENTS. potassium nitrate : The inorganic nitrate salt of potassium. | 2.05 | 1 | 0 | inorganic nitrate salt;
potassium salt | fertilizer |
sodium sulfate
[no description available] | 2.01 | 1 | 0 | inorganic sodium salt | |
ozone
Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. | 2.17 | 1 | 0 | elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen | antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer |
diacerein
diacerein: chelates with bivalent metals; a quinone which possesses redox properties; metabolized to active rhein; proposed mechanisms include inhibiting IL1 and metalloproteinases; called a slow acting symptomatic drug in osteoarthritis; no effect of cyclooxygenase; | 2.44 | 2 | 0 | anthraquinone | |
7-methyljuglone
7-methyljuglone: antineoplastic from roots of Euclea natalensis and Drosera aliciae; structure in first source | 2 | 1 | 0 | hydroxy-1,4-naphthoquinone | |
fluorides
[no description available] | 2.07 | 1 | 0 | halide anion;
monoatomic fluorine | |
1-deoxynojirimycin
1-deoxy-nojirimycin: structure in first source. duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. | 2.03 | 1 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid | anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite |
daunorubicin
Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola. | 2.31 | 1 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
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. | 2.03 | 1 | 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). | 2.21 | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
nitazoxanide
nitazoxanide: a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrug | 3.19 | 1 | 0 | benzamides;
carboxylic ester | |
acarbose
[no description available] | 2.25 | 1 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent |
staurosporine
[no description available] | 3.08 | 1 | 0 | indolocarbazole alkaloid;
organic heterooctacyclic compound | apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector |
imiquimod
Imiquimod: A topically-applied aminoquinoline immune modulator that induces interferon production. It is used in the treatment of external genital and perianal warts, superficial CARCINOMA, BASAL CELL; and ACTINIC KERATOSIS.. imiquimod : An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis. | 2.41 | 1 | 0 | imidazoquinoline | antineoplastic agent;
interferon inducer |
lamivudine
[no description available] | 3.19 | 1 | 0 | monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol | allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug |
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. | 6.19 | 24 | 0 | D-glucopyranose | epitope;
mouse metabolite |
betulinic acid
[no description available] | 2.03 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
arctigenin
arctigenin: precursor to catechols; in many plants | 2.17 | 1 | 0 | lignan | |
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. | 1.98 | 1 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
protolichesterinic acid
protolichesterinic acid: HIV-1 reverse transcriptase inhibitor; isolated from the lichen Cetraria islandica; RN given refers to (2R-trans)-isomer; structure in first source | 2.02 | 1 | 0 | | |
depsidone
depsidone: a dibenzo dioxepin with a lactone formed by one of the oxygens and a carbonyl between the two benzyl rings; some derivatives are found in GARCINIA plants. depsidone : The simplest member of the class of depsidones comprising of a heterotricyclic system that is 11H-dibenzo[b,e][1,4]dioxepine substituted by an oxo group at position 11. | 2.25 | 1 | 0 | depsidones;
organic heterotricyclic compound | |
9,10-anthraquinone 2-carboxylic acid
9,10-anthraquinone 2-carboxylic acid: structure in first source | 2.44 | 2 | 0 | | |
atranorin
atranorin: RN given refers to parent cpd; structure given in first source | 2.48 | 2 | 0 | carbonyl compound | |
pinocembrin
pinocembrin : A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. | 3.08 | 1 | 0 | (2S)-flavan-4-one;
dihydroxyflavanone | antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent |
isocoumarins
Isocoumarins: Compounds that differ from COUMARINS in having the positions of the ring and ketone oxygens reversed so the keto oxygen is at the 1-position of the molecule.. isocoumarin : The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1. | 2.03 | 1 | 0 | isocoumarins | |
duroquinone
tetramethyl-1,4-benzoquinone: structure in first source. duroquinone : A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which all four hydrogens are substituted by methyl groups. | 2.07 | 1 | 0 | 1,4-benzoquinones | |
delphinidin
Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.. delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart. | 2.05 | 1 | 0 | anthocyanidin chloride | |
epicatechin
(-)-epicatechin : A catechin with (2R,3R)-configuration. | 2.01 | 1 | 0 | catechin;
polyphenol | antioxidant |
magnolol
[no description available] | 2.04 | 1 | 0 | biphenyls | |
skyrin
skyrin: main pigment of toxin rice fungus Penicillium islandicum; RN given refers to parent cpd; structure | 1.98 | 1 | 0 | biaryl;
trihydroxyanthraquinone | |
sennoside A
sennoside A : A member of the class of sennosides that is rel-(9R,9'R)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. The exact stereochemisty at positions 9 and 9' is not known - it may be R,R (as shown) or S,S. | 2.42 | 2 | 0 | oxo dicarboxylic acid;
sennosides | |
lobaric acid
lobaric acid: inhibits formation of leukotrienes C4, D4, and E4; also reduces muscle contraction; structure in first source | 2.02 | 1 | 0 | carbonyl compound | |
atherospermidine
atherospermidine: isoquinoline alkaloid from Artabotrys maingayi; structure given in first source | 2.06 | 1 | 0 | oxoaporphine alkaloid | |
anthraglycoside b
anthraglycoside B: from Polygonum cuspidatum Sieb. et Zucc; structure in first source | 3.26 | 6 | 0 | dihydroxyanthraquinone | |
versicolorin c
versicolorin C: RN given refers to versicolorin C (cis-(+-))-isomer; see also record for versicolorin. versicolorin B : An organic heteropentacyclic compound that is 2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8. | 2.31 | 1 | 0 | cyclic acetal;
organic heteropentacyclic compound;
p-quinones;
polyphenol | Aspergillus metabolite |
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. | 1.98 | 1 | 0 | catechin;
gallate ester;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
tryptoquivaline
tryptoquivaline: tremor-producing metabolite from Aspergillus clavatus; tetrapeptide derived from tryptophan, anthranilic acid, valine, & methylalanine; structure & N1 names previously assigned to tryptoquivaline C & tryptoquivaline D found to be incorrect & are revised in third source; see also record for tryptoquivalone; structure in third source | 2.02 | 1 | 0 | | |
tanshinone
tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | 2.01 | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
matairesinol
matairesinol: lignan that is a central precursor in plants in the biosynthesis of numerous lignans (coordinate with specific); RN refers to (3R-trans)-isomer. (-)-matairesinol : A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer). | 2.17 | 1 | 0 | gamma-lactone;
lignan;
polyphenol | angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite |
2,3-dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one: a Maillard reaction product of glucose and glycine; structure in first source | 2.06 | 1 | 0 | | |
emodin anthrone
emodin anthrone: inhibits respiratory-driven solute transport in membrane vesicles of E coli. emodin anthrone : A member of the class of anthracenones that is anthracen-9(10H)-one which carries a methyl group at position 6 and hydroxy groups at positions 1, 3 and 8, respectively. It is an intermediate precursor in the synthesis of hypericin. | 2.43 | 2 | 0 | anthracenone;
phenols | fungal metabolite |
procyanidin b2
procyanidin B2 : A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine. | 1.98 | 1 | 0 | biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin | antioxidant;
metabolite |
rubiadin
rubiadin: highly genotoxic in Salmonella typhimurium. rubiadin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 3 and a methyl group at position 2. It has been isolated from Rubia yunnanensis. | 3.65 | 2 | 0 | dihydroxyanthraquinone | antibacterial agent;
antioxidant;
hepatoprotective agent;
plant metabolite |
soranjidiol
soranjidiol: has photodynamic activity; from Heterophyllaea pustulata Hook f. (Rubiaceae). 1,6-dihydroxy-2-methyl-9,10-anthraquinone : A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 6 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. | 3.7 | 1 | 0 | dihydroxyanthraquinone | antibacterial agent;
plant metabolite |
4'-amino-6-hydroxyflavone
4'-amino-6-hydroxyflavone: a p53/56(lyn) inhibitor; structure given in first source | 3.08 | 1 | 0 | flavones | |
ergosta-7,22-dien-3-ol
ergosta-7,22-dien-3-ol: RN given refers to cpd without isomeric designation | 2.02 | 1 | 0 | | |
(hydroxy-2-naphthalenylmethyl)phosphonic acid
(hydroxy-2-naphthalenylmethyl)phosphonic acid: a protein-tyrosine kinase inhibitor; structure given in first source | 3.08 | 1 | 0 | | |
5'-(sulfonylbenzoyl)adenosine
5'-(sulfonylbenzoyl)adenosine: covalently binds to platelet membrane | 3.08 | 1 | 0 | | |
marsupsin
marsupsin: structure given in first source; isolated from Pterocarpus marsupium; RN given for (-)-isomer. marsupsin : A member of the class of 1-benzofurans that is 1-benzofuran-3(2H)-one, substituted by hydroxy groups at positions 2 and 6, a 4-hydroxybenzyl group at position 2 and a methoxy group at position 4. Isolated from the heartwood of Pterocarpus marsupium, it exhibits antihyperglycemic and antihyperlipidemic activities. | 2.01 | 1 | 0 | 1-benzofurans;
aromatic ether;
polyphenol | antilipemic drug;
hypoglycemic agent;
metabolite |
gyrophoric acid
gyrophoric acid: a tridepside isolated from Parmelia nepalensis | 2.48 | 2 | 0 | carbonyl compound | |
aurantio-obtusin
aurantio-obtusin: main anthraquinone in “Jue-Ming-Zi”, therapeutic for hyperlipidemia. aurantio-obtusin : A trihydroxyanthraquinone that is 1,3,7-trihydroxy-9,10-anthraquinone which is by methoxy groups at positions 2 and 8, and by a methyl group at position 6. | 3.03 | 4 | 0 | trihydroxyanthraquinone | |
2-methoxystypandrone
2-Methoxystypandrone: was isolated from a Chinese herb Polygonum cuspidatum; structure in first source | 2 | 1 | 0 | naphthoquinone | |
singlet oxygen
Singlet Oxygen: An excited state of molecular oxygen generated photochemically or chemically. Singlet oxygen reacts with a variety of biological molecules such as NUCLEIC ACIDS; PROTEINS; and LIPIDS; causing oxidative damages. | 2.15 | 1 | 0 | chalcogen;
monoatomic oxygen;
nonmetal atom | macronutrient |
sulochrin
[no description available] | 2.02 | 1 | 0 | benzophenones;
carboxylic ester;
phenols | metabolite |
questin
[no description available] | 2.97 | 4 | 0 | dihydroxyanthraquinone | |
1-hydroxy-2-methylanthraquinone
1-hydroxy-2-methylanthraquinone: from root of Prismatomeris tetrandra. 1-hydroxy-2-methyl-9,10-anthraquinone : A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by a hydroxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. | 2.41 | 2 | 0 | monohydroxyanthraquinone | plant metabolite |
enniatin b
enniatins: cyclohexadepsipeptides containing valine, isoleucine & valeric acid from Fusarian; form complexes with cations & cellular membranes; there are at least three different enniatins H, B & C; minor descriptor (76-86); on-line & INDEX MEDICUS search PEPTIDES, CYCLIC (76-86); see also record for enniatin D, E, F. enniatin B : An enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units. | 2.15 | 1 | 0 | enniatin | antimicrobial agent |
pachybasin
pachybasin: structure in first source | 2.17 | 1 | 0 | | |
helioxanthin
helioxanthin: structure in first source. helioxanthin : A furonaphthodioxole that is furo[3',4':6,7]naphtho[1,2-d][1,3]dioxol-7(9H)-one substituted by a 1,3-benzodioxol-5-yl group at posiiton 10. It is a inhibitor of HBV, HCV and HSV-1 viruses. | 3.19 | 1 | 0 | benzodioxoles;
furonaphthodioxole;
lignan | anti-HBV agent;
antineoplastic agent;
plant metabolite |
chrysene-1,4-dione
[no description available] | 2 | 1 | 0 | phenanthrenes | |
4',6-dihydroxyflavone
4',6-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 4' and 6. | 3.08 | 1 | 0 | dihydroxyflavone | |
(-)-gallocatechin gallate
(-)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. | 1.98 | 1 | 0 | catechin;
gallate ester;
polyphenol | antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
4'-hydroxyflavone
4'-hydroxyflavone: structure in first source | 3.08 | 1 | 0 | | |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 4.09 | 4 | 0 | | |
lupeol
[no description available] | 2.04 | 1 | 0 | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory drug;
plant metabolite |
methylnaphthazarin
methylnaphthazarin: structure in first source | 2.04 | 1 | 0 | | |
3',4',5'-trimethoxyflavone
3',4',5'-trimethoxyflavone: structure in first source | 3.08 | 1 | 0 | ether;
flavonoids | |
4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid
[no description available] | 1.98 | 1 | 0 | trihydroxyanthraquinone | |
1,3,8-trihydroxy-6-hydroxymethylanthraquinone
1,3,8-trihydroxy-6-hydroxymethylanthraquinone: metabolite of emodin | 1.98 | 1 | 0 | trihydroxyanthraquinone | |
secalonic acid
secalonic acid: consists of 4 acids (A,C,D,E) differing only in their stereochemistry; RN given is for parent cpd; structure | 3.41 | 1 | 0 | | |
arabinose
[no description available] | 2.05 | 1 | 0 | L-arabinose | Escherichia coli metabolite;
mouse metabolite |
naringenin
(S)-naringenin : The (S)-enantiomer of naringenin. | 3.08 | 1 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
epiglucan
epiglucan: a highly side-chain/branched alkali-insoluble cell wall glucan from fungus such as Epicoccum nigrum, Botrytis cinerea, ascomycetes & basidiomycetes; also isolated S-4001 from Lei Wan (polyporus mylitiae), HA-beta-glucan from mushroom Pleutotus ostreatus (Fr.) Quel., and translam from seaweed Laminaria cichorioides; with commercially important functional properties including emulsification and friction reduction. | 2.15 | 1 | 0 | | |
taxifolin
(+)-taxifolin : A taxifolin that has (2R,3R)-configuration. | 3.08 | 1 | 0 | taxifolin | metabolite |
Pedunculagin
pedunculagin: from the walnut (Juglans regia) pellicle | 1.98 | 1 | 0 | tannin | |
chrysophanol 8-o-glucoside
chrysophanol 8-O-glucoside: has anti-hepatitis B virus activity; also has antiplatelet and anticoagulant activities; isolated from Rheum palmatum. chrysophanol 8-O-beta-D-glucoside : A beta-D-glucoside in which the aglycone species is chrysophanol, the glycosidic linkage being to the hydroxy group at C-8. | 3.82 | 3 | 0 | beta-D-glucoside;
monohydroxyanthraquinone | |
frangulin b
frangulin B: found in bark of Frangula alnus (formerly called Rhamnus frangula) | 2.05 | 1 | 0 | anthraquinone | |
gluco-obtusifolin
gluco-obtusifolin: isolated from Cassia obtusifolia; structure in first source | 2.54 | 2 | 0 | anthraquinone | |
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) | 2.49 | 2 | 0 | | |
acarbose
[no description available] | 2.03 | 1 | 0 | amino cyclitol;
glycoside | |
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 | 2.04 | 1 | 0 | cinnamic acid | plant metabolite |
ergosterol
[no description available] | 2.48 | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols | fungal metabolite;
Saccharomyces cerevisiae metabolite |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 3.74 | 10 | 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. | 3.51 | 2 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
1,4-dideoxy-1,4-imino-d-arabinitol
[no description available] | 2.25 | 1 | 0 | | |
gamma-sitosterol
clionasterol : A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3. | 3.3 | 6 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols | marine metabolite;
plant metabolite |
euscaphic acid
euscaphic acid: isolated from medicinal plant, Euscaphis japonica Pax.; structure; RN given refers to 2alpha,3alpha-isomer. euscaphic acid : A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 19 respectively (the 2alpha,3alpha-stereoisomer). It has been isolated from the leaves of Rosa laevigata. | 2.11 | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triol | plant metabolite |
beta-hydroxyisovalerylshikonin
[no description available] | 2.04 | 1 | 0 | | |
shikonin
shikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activities | 2.46 | 2 | 0 | hydroxy-1,4-naphthoquinone | |
dihydrochelerythrine
dihydrochelerythrine: trypanocidal and antileishmanial dihydrochelerythrine derivative from Garcinia lucida; structure in first source | 3.19 | 1 | 0 | benzophenanthridine alkaloid | |
bay 41-4109
BAY 41-4109: structure in first source | 3.19 | 1 | 0 | | |
rubrofusarin gentiobioside
rubrofusarin gentiobioside: isolated from seeds of Cassia tora; structure in first source | 2.11 | 1 | 0 | | |
ammonium acetate
ammonium acetate : An ammonium salt obtained by reaction of ammonia with acetic acid. A deliquescent white crystalline solid, it has a relatively low melting point (114degreeC) for a salt. Used as a food acidity regulator, although no longer approved for this purpose in the EU. | 2.6 | 1 | 0 | acetate salt;
ammonium salt | buffer;
food acidity regulator |
olivetoric acid
olivetoric acid: isolated from Pseudevernia furfuracea; structure in first source | 3.41 | 1 | 0 | carbonyl compound | |
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. | 3.08 | 1 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
glycosides
[no description available] | 3.56 | 8 | 0 | | |
stilbenes
Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene. | 4.19 | 16 | 0 | stilbene | |
ag-213
tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells; | 3.08 | 1 | 0 | | |
3,3',4,5'-tetrahydroxystilbene
3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer. piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. | 3.08 | 1 | 0 | catechols;
polyphenol;
resorcinols;
stilbenol | antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor |
7,8,3'-trihydroxyflavone
7,8,3'-trihydroxyflavone: a potent small molecule TrkB receptor agonist that protects spiral ganglion neurons from degeneration both in vitro and in vivo | 3.08 | 1 | 0 | | |
(2S)-7-hydroxyflavanone
[no description available] | 3.08 | 1 | 0 | 7-hydroxyflavanone | |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 3.08 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
D-fructopyranose
[no description available] | 2.25 | 1 | 0 | cyclic hemiketal;
D-fructose;
fructopyranose | sweetening agent |
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. | 2.02 | 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 |
valinomycin
Valinomycin: A cyclododecadepsipeptide ionophore antibiotic produced by Streptomyces fulvissimus and related to the enniatins. It is composed of 3 moles each of L-valine, D-alpha-hydroxyisovaleric acid, D-valine, and L-lactic acid linked alternately to form a 36-membered ring. (From Merck Index, 11th ed) Valinomycin is a potassium selective ionophore and is commonly used as a tool in biochemical studies.. valinomycin : A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains. | 2.15 | 1 | 0 | cyclodepsipeptide;
macrocycle | antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore |
helvolic acid
helvolic acid: structure. helvolic acid : A steroid C-21 acid having a 29-nordammarane skeleton substituted with an acetoxy group at C-16 and oxo groups at C-3 and -7, with double bonds at C-1, -17(20) and -24. | 2.02 | 1 | 0 | 3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid | antibacterial agent;
fungal metabolite;
mycotoxin |
asterric acid
asterric acid: structure given in first source; inhibits the binding of endothelin-1 to the ET(A) receptor of A10 cells | 2.04 | 1 | 0 | | |
obtusifolin
obtusifolin: isolated from Cassia obtusifolia; structure in first source | 2.78 | 3 | 0 | dihydroxyanthraquinone | |
cytellin
cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982 | 3.3 | 6 | 0 | | |
alizarin red s
Alizarin Red S: RN given refers to parent cpd; structure. alizarin red S : An organic sodium salt having 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate as the counterion. It is commonly used to stain embryo skeletons in cleared whole mounts, usually of small mammals. | 2.07 | 1 | 0 | organic sodium salt;
organosulfonate salt | histological dye |
hbf 0259
[no description available] | 3.19 | 1 | 0 | | |
naphthoquinones
Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups. | 1.98 | 1 | 0 | | |
quercetin
[no description available] | 4.36 | 6 | 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 |
biochanin a
[no description available] | 3.08 | 1 | 0 | 4'-methoxyisoflavones;
7-hydroxyisoflavones | antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
sterigmatocystin
[no description available] | 2.15 | 1 | 0 | sterigmatocystins | metabolite |
acacetin
5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. | 3.08 | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | anticonvulsant;
plant metabolite |
apigenin
Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | 3.08 | 1 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
luteolin
[no description available] | 3.08 | 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 |
quercitrin
[no description available] | 2.03 | 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 |
chrysoeriol
chrysoeriol: isolated from leaves of Eurya japonica & E. emarginata. 4',5,7-trihydroxy-3'-methoxyflavone : The 3'-O-methyl derivative of luteolin. | 2.08 | 1 | 0 | monomethoxyflavone;
trihydroxyflavone | antineoplastic agent;
antioxidant;
metabolite |
stigmasterol
stigmasta-5,22-dien-3-ol: isolated from freeze-dried powder of Blackberries (Rubus ursinus L.) which showed an activity on inhibition of chemocarcinogen. stigmasterol : A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions. | 2.76 | 3 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol | plant metabolite |
rutin
Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | 1.98 | 1 | 0 | disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone | antioxidant;
metabolite |
kaempferol
[no description available] | 3.79 | 3 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
genistein
[no description available] | 3.81 | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
genistin
genistin: glycoside of soy bean isoflavone, gentistein | 3.08 | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside | |
daphnoretin
daphnoretin: isolated from the whole plant Wikstroemia indica. daphnoretin : A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. | 2.17 | 1 | 0 | aromatic ether;
hydroxycoumarin | antineoplastic agent;
antiviral agent;
metabolite |
chrysin
chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 3.08 | 1 | 0 | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite |
fisetin
[no description available] | 3.08 | 1 | 0 | 3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone | anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite |
galangin
5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source. galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. | 3.08 | 1 | 0 | 7-hydroxyflavonol;
trihydroxyflavone | antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite |
genkwanin
genkwanin: structure. genkwanin : A monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated. | 3.08 | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | metabolite |
euxanthone
euxanthone : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. | 2.03 | 1 | 0 | phenols;
xanthones | metabolite;
plant metabolite |
hyperoside
quercetin 3-O-beta-D-galactopyranoside : A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity. | 2.42 | 2 | 0 | beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | hepatoprotective agent;
plant metabolite |
3-hydroxyblancoxanthone
3-hydroxyblancoxanthone: from the root of Calophyllum blancoi; structure in first source | 2.25 | 1 | 0 | pyranoxanthones | |
norathyriol
norathyriol: from Gentinanaceae; has vasorelaxing action on rat thoracic aorta; structure given in first source. norathyriol : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7. Isolated from Garcinia mangostana and Maclura pomifera, it exhibits inhibitory activity against protein kinase C. | 2.25 | 1 | 0 | polyphenol;
xanthones | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite |
myricetin
[no description available] | 3.08 | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
orientin
orientin: structure given in first source; RN given refers to the (D-glucopyranosyl)-isomer. orientin : A C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8. | 1.98 | 1 | 0 | 3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone | antioxidant;
metabolite |
wogonin
wogonin: structure in first source. wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. | 3.19 | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite |
daidzein
[no description available] | 3.49 | 2 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
orobol
orobol: from Aspergillus niger or Streptomyces neyagawaensis; potent inhibitor of phosphatidylinositol kinase. orobol : A member of the class of 7-hydroxyisoflavones which consists of isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4'. It has been isolated from the mycelia of Cordyceps sinensis. | 3.08 | 1 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent;
fungal metabolite;
plant metabolite;
radical scavenger |
prunetin
prunetin: reduces herpes virus-1 plaque formation. prunetin : A hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group. | 3.08 | 1 | 0 | 7-methoxyisoflavones;
hydroxyisoflavone | anti-inflammatory agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite |
7-hydroxyflavone
7-hydroxyflavone : A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group. | 3.08 | 1 | 0 | hydroxyflavonoid | |
syringetin
[no description available] | 3.08 | 1 | 0 | 3',5'-dimethoxyflavone;
3'-methoxyflavones;
7-hydroxyflavonol;
dimethoxyflavone;
tetrahydroxyflavone | metabolite;
platelet aggregation inhibitor |
4',7-dihydroxyflavone
4',7-dihydroxyflavone: inducer of nod gene. 4',7-dihydroxyflavone : A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7. | 3.08 | 1 | 0 | dihydroxyflavone | metabolite |
quercimeritrin
quercimeritrin: from Rumex luminiastrum. quercetin 7-O-beta-D-glucoside : A quercetin O-glucoside in which a glucosyl residue is attached at position 7 of quercetin via a beta-glycosidic linkage. | 1.98 | 1 | 0 | beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone | antioxidant;
metabolite |
fustin
fustin : A dihydroflavonol that is the 2,3-dihydro derivative of fisetin.. tetrahydroxyflavanone : A hydroxyflavanone with atleast four hydroxy substituents. | 3.08 | 1 | 0 | | |
rhapontigenin
rhapontigenin: structure in first source | 2.02 | 1 | 0 | stilbenoid | |
shihulimonin a
shihulimonin A: isolated from Evodia rutaecarpa; structure in first source | 2 | 1 | 0 | limonoid | |
baeomycesic acid
baeomycesic acid: structure in first source | 2.02 | 1 | 0 | carbonyl compound | |
erbstatin
erbstatin: from actinomycetes; an inhibitor of EGF-receptor kinase & other protein-tyrosine kinases; structure in first source | 3.08 | 1 | 0 | | |
ag 538
AG 538: an IGF-1 receptor kinase inhibitor; structure in first source | 3.08 | 1 | 0 | | |
ag 99
tyrphostin A46: epidermal growth factor-urogastrone receptor antagonist | 3.08 | 1 | 0 | | |
tyrphostin ag 555
[no description available] | 3.08 | 1 | 0 | | |
tyrphostin ag-494
AG 494: tyrphostin that blocks Cdk2 activation; structure in first source | 3.08 | 1 | 0 | | |
ag-490
[no description available] | 3.08 | 1 | 0 | catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide | anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor |
alpha-cyano-4-hydroxycinnamic acid
alpha-cyano-4-hydroxycinnamic acid : A monohydroxycinnamic acid that is 4-hydroxycinnamic acid in which the hydrogen alpha- to the carboxy group is replaced by a cyano group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of peptides and oligonucleotides. | 3.08 | 1 | 0 | monohydroxycinnamic acid;
nitrile;
phenols | MALDI matrix material |
ag 30
AG 30: structure given in first source; do not confuse with AG-30 antimicrobial peptide | 3.08 | 1 | 0 | | |
ag 112
[no description available] | 3.08 | 1 | 0 | | |
ag 183
AG 183: structure given in first source | 3.08 | 1 | 0 | | |
butylidenephthalide
butylidenephthalide: structure in first source. (Z)-3-butylidenephthalide : A gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. | 2.25 | 1 | 0 | isobenzofuranone | |
12-hydroxy-5,8,10,14-eicosatetraenoic acid
12-Hydroxy-5,8,10,14-eicosatetraenoic Acid: A lipoxygenase metabolite of ARACHIDONIC ACID. It is a highly selective ligand used to label mu-opioid receptors in both membranes and tissue sections. The 12-S-HETE analog has been reported to augment tumor cell metastatic potential through activation of protein kinase C. (J Pharmacol Exp Ther 1995; 274(3):1545-51; J Natl Cancer Inst 1994; 86(15):1145-51) | 2.02 | 1 | 0 | | |
methyl 2,5-dihydroxycinnamate
methyl 2,5-dihydroxycinnamate: structure given in first source. 2,5-dihydroxycinnamic acid methyl ester : A cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid. | 3.08 | 1 | 0 | cinnamate ester;
hydroquinones;
methyl ester | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
geroprotector;
human urinary metabolite;
plant metabolite |
psi-tectorigenin
psi-tectorigenin: structure given in first source; isolated from Streptomyces | 3.08 | 1 | 0 | | |
noreugenin
noreugenin : A member of the class of chromones in which the 1,4-benzopyrone skeleton is substituted with a methyl group at position 2 and with hydroxy groups at positions 5 and 7. A natural product, it is found in Pisonia aculeata. | 2.02 | 1 | 0 | chromones;
resorcinols | plant metabolite |
phosphorus
Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions. | 2.03 | 1 | 0 | monoatomic phosphorus;
nonmetal atom;
pnictogen | macronutrient |
gamma-mangostin
gamma-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3, 6 and 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antitumour activity. | 2.31 | 1 | 0 | phenols;
xanthones | antineoplastic agent;
plant metabolite;
protein kinase inhibitor |
st 638
[no description available] | 3.08 | 1 | 0 | | |
3,5-dihydroxy-4'-methoxystilbene
4'-methoxyresveratrol: has anti-inflammatory effects in cell culture model | 2.02 | 1 | 0 | | |
helioxanthin 8-1
helioxanthin 8-1: an antiviral agent; structure in first source | 3.19 | 1 | 0 | | |
herbimycin
[no description available] | 3.08 | 1 | 0 | | |
2,3,5,4'-tetrahydroxystilbene 2-o-glucopyranoside
2,3,5,4'-tetrahydroxystilbene 2-O-glucopyranoside: isolated from dried root tubers of Polygonum multiflorum; structure in first source | 2.53 | 2 | 0 | | |
broussochalcone a
broussochalcone A: RN given for (E)-isomer; inhibits neutrophil respiratory burst; structure in first source | 2.25 | 1 | 0 | | |
st 271
[no description available] | 3.08 | 1 | 0 | | |
1,2-dihydroxy-4-(nitroethenyl)benzene
1,2-dihydroxy-4-(nitroethenyl)benzene: isolated from Streptomyces lavendulae | 3.08 | 1 | 0 | | |
artesunate
artesunic acid: RN given for (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,(2aR*))-isomer; succinic ester of artemether | 3.19 | 1 | 0 | artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid | antimalarial;
antineoplastic agent;
ferroptosis inducer |
pinostrobin
pinostrobin: structure in first source. pinostrobin : A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5 and a methoxy group at position 7 respectively. | 2.06 | 1 | 0 | ether;
flavonoids | |
chlorhexidine
Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.. chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. | 2.03 | 1 | 0 | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent |
casuarine
casuarine: structure in first source; do not confuse with tannin casuariin | 2.25 | 1 | 0 | | |
alloin
alloin: isolated from various species of aloe; structure | 2.46 | 2 | 0 | diastereoisomeric mixture | EC 1.14.18.1 (tyrosinase) inhibitor;
laxative |
zeolites
[no description available] | 2.69 | 2 | 0 | | |
rugulosin
rugulosin: RN given refers to cpd without isomeric designation; structure in first source & in Negwer, 5th ed, #5799 | 1.98 | 1 | 0 | | |
artenimol
artenimol: derivative of antimalarial drug artemisinin (quinghaosu) | 2.15 | 1 | 0 | | |
carmine
carminic acid : A tetrahydroxyanthraquinone that is that is 1,3,4,6-tetrahydroxy-9,10-anthraquinone substituted by a methyl group at position 8, a carboxy group at position 7 and a 1,5-anhydro-D-glucitol moiety at position 2 via a C-glycosidic linkage. It is a natural dye isolated from several insects such as Dactylopius coccus. | 2.03 | 1 | 0 | C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone | animal metabolite;
histological dye |
leucamide a
leucamide A: a cytotoxic heptapeptide from the Australian sponge Leucetta microraphis; structure in first source | 3.19 | 1 | 0 | | |
papyriflavonol a
papyriflavonol A: isolated from Broussonetia papyrifera; structure in first source. papyriflavonol A : A pentahydroxyflavone that is flavone substituted with hydroxy groups at positions 3, 5, 7, 3' and 4' and prenyl groups at positions 6 and 5'. Isolated from Broussonetia papyrifera, it exhibits inhibitory activity against phospholipase A2 and tyrosinase. | 2.25 | 1 | 0 | 3'-hydroxyflavonoid;
flavonols;
pentahydroxyflavone | EC 1.14.18.1 (tyrosinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
metabolite |
2-hydroxy-3-methylanthraquinone
2-hydroxy-3-methylanthraquinone: apoptosis-inducing compound from Hedyotis diffusa WILLD; structure in first source | 2.1 | 1 | 0 | | |
tafamidis
tafamidis: may be effective in treating transthyretin amyloid polyneuropathy. tafamidis : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole-6-carboxylic acid in which the hydrogen at position 2 is replaced by a 3,5-dichlorophenyl group. Used (as its meglumine salt) for the amelioration of transthyretin-related hereditary amyloidosis. | 2.31 | 1 | 0 | 1,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid | central nervous system drug |
cudraxanthone l
cudraxanthone L: from the root bark of Cudrania tricuspidata; structure in first source | 2.25 | 1 | 0 | | |
chlorophyll b
[no description available] | 2.04 | 1 | 0 | chlorophyll | cofactor |
losartan potassium
Erythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation. | 2.6 | 1 | 0 | | |
astragaloside IV
[no description available] | 3.19 | 1 | 0 | pentacyclic triterpenoid;
triterpenoid saponin | anti-inflammatory agent;
antioxidant;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
neuroprotective agent;
plant metabolite;
pro-angiogenic agent |
lyoniside
lyoniside: see also eleutherosides & syringin for eleutheroside B: 118-34-3; RN given refers to (3beta)-isomer | 2.04 | 1 | 0 | | |
cytochrome c-t
Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV. | 2.11 | 1 | 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. | 2.02 | 1 | 0 | | |
chlorophyll a
Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain. | 2.43 | 2 | 0 | chlorophyll;
methyl ester | cofactor |
rosamultin
rosamultin: isolated from roots of Rosa multiflora; RN not in Chemline 3/87; RN from Chem Abstracts Index Guide 1985 | 3.19 | 1 | 0 | | |
diorcinol
diorcinol : An aromatic ether that is diphenyl ether in which both phenyl groups are substituted at position 3 by a hydroxy group and at position 5 by a methyl group. | 2.31 | 1 | 0 | aromatic ether;
phenols | fungal metabolite;
marine metabolite;
metabolite |
acid blue 40
Acid Blue 40: a textile dye; structure in first source | 2.05 | 1 | 0 | | |
acid blue 25
[no description available] | 2.05 | 1 | 0 | | |
acid blue 129
[no description available] | 2.05 | 1 | 0 | | |
nuclear fast red
nuclear fast red: structure in first source; do not confuse with nuclear fast red (basic dye). nuclear fast red : An organic sodium salt that is the monosodium salt of 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid. It forms bright red lakes with calcium and is a useful red nuclear staining lake with aluminum. | 2.31 | 1 | 0 | organic sodium salt | fluorochrome;
histological dye |
2-hydroxybenzoyl-n-(5-chlorothiazol-2-yl)amide
2-hydroxybenzoyl-N-(5-chlorothiazol-2-yl)amide: an antiviral agent effective against hepatitis B virus; structure in first source | 3.19 | 1 | 0 | | |
ascorbic acid
Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 2.01 | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
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 | | |
chlortetracycline
Chlortetracycline: A TETRACYCLINE with a 7-chloro substitution.. chlortetracycline : A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. | 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. | 3.58 | 2 | 0 | monohydroxybenzoate | plant metabolite |
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 2.54 | 2 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
vulpinic acid
vulpinic acid: RN given refers to cpd without isomeric designation; structure given in first source; vulpinic acid refers to (E)-isomer | 3.41 | 1 | 0 | butenolide | |
sm 1 peptide
fumigaclavine C: isolated from Aspergillus fumigatus; structure in first source. fumigaclavine C : An ergot alkaloid produced by the fungus Aspergillus fumigatus that is ergoline which is substituted by a 2-methylbut-3-en-2-yl group at position 2, methyl groups at the 6 and 8beta positions, and by an acetoxy group at the 9beta position. | 2.02 | 1 | 0 | acetate ester;
ergot alkaloid | metabolite |
alisol f
[no description available] | 3.19 | 1 | 0 | | |
alisol a 24-acetate
alisol A 24-acetate: isolated from Alismatis Rhizoma; structure in first source | 3.19 | 1 | 0 | | |
amyloid beta-peptides
amyloid beta-protein (1-40): although acutely neurotoxic in both rat & monkey cerebral cortex, neuronal degeneration in primates resembles more closely to that found in Alzheimer's disease; amino acid sequence has been determined | 2.11 | 1 | 0 | | |
diguanosine tetraphosphate
P(1),P(4)-bis(5'-guanosyl) tetraphosphate : A purine ribonucleoside 5'-tetraphosphate compound having 5'-guanosyl residues at the P(1)- and P(4)-positions. | 3.08 | 1 | 0 | guanosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate | Escherichia coli metabolite;
mouse metabolite |
pheophytin a
pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S*,11S*),4beta,21beta))-isomer | 2.76 | 3 | 0 | | |
phenanthrenes
Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. | 2.01 | 1 | 0 | | |