| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
4-hydroxybenzaldehyde
[no description available] | 2.31 | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
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). | 2.31 | 1 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
pleconaril
WIN 63843: structure given in first source | 2.83 | 3 | 0 | | |
berberine
[no description available] | 2.07 | 1 | 0 | alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound | antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker |
chelerythrine
chelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. | 2.17 | 1 | 0 | benzophenanthridine alkaloid;
organic cation | antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
guanidine
Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines. | 2.52 | 2 | 0 | carboxamidine;
guanidines;
one-carbon compound | |
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. | 1.99 | 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 |
clorgyline
Clorgyline: An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.. clorgyline : An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant. | 2.17 | 1 | 0 | aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound | antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
streptonigrin
[no description available] | 1.98 | 1 | 0 | pyridines;
quinolone | antimicrobial agent;
antineoplastic agent |
vorinostat
Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). | 2.1 | 1 | 0 | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
prednisolone
Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. | 1.99 | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
apomorphine
Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. | 4.21 | 16 | 0 | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug |
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. | 2.1 | 1 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
isoxazoles
Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent. | 2.13 | 1 | 0 | isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
oxazoles
Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. | 2.83 | 3 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
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. | 2.44 | 2 | 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 |
glaucine
glaucine: RN given refers to (+-)-isomer | 7.74 | 3 | 0 | aporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound | antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite |
dysprosium
Dysprosium: An element of the rare earth family that has the atomic symbol Dy, atomic number 66, and atomic weight 162.50. Dysprosium is a silvery metal used primarily in the form of various salts. | 2.11 | 1 | 0 | f-block element atom;
lanthanoid atom | |
yttrium
Yttrium: An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers. | 2.11 | 1 | 0 | d-block element atom;
rare earth metal atom;
scandium group element atom | |
camptothecin
NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 1.98 | 1 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
toloxatone
toloxatone: oxazolidinone derivative; psychotropic drug; structure. toloxatone : A racemate consisting of equimolar amounts of (R)- and (S)-toloxatone. It is a reversible monoamine oxidase A inhibitor and antidepressant.. 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one : A member of the class of oxazolidinones that is 5-(hydroxymethyl)-1,3-oxazolidin-2-one substituted by a 3-methylphenyl group at position 3. | 2.17 | 1 | 0 | oxazolidinone;
primary alcohol;
toluenes | |
dehydrocorydalin
dehydrocorydalin: alkaloid from Corydalis bulbuso D.C. used in therapy of peptic ulcer; RN given refers to parent cpd | 2.07 | 1 | 0 | alkaloid | |
disoxaril
disoxaril: antipicornavirus agent | 2.48 | 2 | 0 | aromatic ether | |
adenosine
quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | 2.07 | 1 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
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. | 2.05 | 1 | 0 | D-glucopyranose | epitope;
mouse metabolite |
norharman
norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. | 2.17 | 1 | 0 | beta-carbolines;
mancude organic heterotricyclic parent | fungal metabolite;
marine metabolite |
artemisinin
(+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. | 1.99 | 1 | 0 | organic peroxide;
sesquiterpene lactone | antimalarial;
plant metabolite |
malvidin chloride
[no description available] | 2.17 | 1 | 0 | | |
lazabemide
lazabemide: structure given in first source | 2.17 | 1 | 0 | | |
columbamine
[no description available] | 2.07 | 1 | 0 | berberine alkaloid;
organic heterotetracyclic compound | |
sakuranetin
sakuranetin: major rice phytoalexin; RN given for ((S)-(-))-isomer; structure in first source. sakuranetin : A flavonoid phytoalexin that is (S)-naringenin in which the hydroxy group at position 7 is replaced by a methoxy group. | 2.31 | 1 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavonoid phytoalexin;
monomethoxyflavanone | antimycobacterial drug;
plant metabolite |
atherospermidine
atherospermidine: isoquinoline alkaloid from Artabotrys maingayi; structure given in first source | 2.31 | 1 | 0 | oxoaporphine alkaloid | |
n-phenethylbenzamide
N-phenethylbenzamide: has antioxidant activity; structure in first source | 2.31 | 1 | 0 | | |
corydaline
[no description available] | 2.07 | 1 | 0 | isoquinoline alkaloid;
isoquinolines | |
lysicamine
lysicamine: oxoaporphine alkaloid; structure in first source | 2.71 | 3 | 0 | alkaloid antibiotic;
oxoaporphine alkaloid | metabolite |
omega-n-methylarginine
omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.. N(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent. | 2.31 | 1 | 0 | amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid | |
2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile
[no description available] | 2.57 | 2 | 0 | | |
liridine
liridine: Antibacterial from Artabotrys crassifolius; structure in first source | 2.44 | 2 | 0 | | |
corydalmine
corydalmine: antagonizes dopamine receptors; structure given in first source; RN given refers to (S)-isomer | 2.17 | 1 | 0 | | |
corynoline
corynoline : A benzophenanthridine alkaloid that is chelidonine substituted by a methyl group at position 13. Isolated from the aerial parts of Corydalis incisa, it acts as an acetylcholinesterase inhibitor and also exhibits antineoplastic and hepatoprotective activity. | 2.17 | 1 | 0 | benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol | antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite |
4-allyl-2,6-dimethoxyphenol
4-allyl-2,6-dimethoxyphenol: structure in first source. 4-allyl-2,6-dimethoxyphenol : A member of the class of phenols that is phenol substituted by an allyl group at position 4 and methoxy groups at positions 2 and 6 respectively. | 2.31 | 1 | 0 | dimethoxybenzene;
phenols;
phenylpropanoid | |
oxopurpureine
oxopurpureine: an oxoaporphine from leaves of Annona purpurea; structure in first source | 1.99 | 1 | 0 | isoquinoline alkaloid | |
lariciresinol
lariciresinol: found in human urine. (+)-lariciresinol : A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer). | 2.31 | 1 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
(2S,3R)-dihydrodehydrodiconiferyl alcohol
[no description available] | 2.31 | 1 | 0 | 1-benzofurans;
guaiacols;
guaiacyl lignin;
primary alcohol | |
tetrahydrocolumbamine
tetrahydrocolumbamine: a dopamine receptor ligand; from Polygala tenuifolia; structure given in first source. (S)-tetrahydrocolumbamine : A berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration. | 2.07 | 1 | 0 | berberine alkaloid;
organic heterotetracyclic compound | |
decursin
decursin: activates protein kinase C; isolated from the root of Angelica gigas; RN given for (S)-isomer; structure in first source | 2.17 | 1 | 0 | coumarins | |
syringaresinol
(+)-syringaresinol : The (7alpha,7'alpha,8alpha,8'alpha)-stereoisomer of syringaresinol. | 2.31 | 1 | 0 | syringaresinol | antineoplastic agent |
ferulic acid
ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.04 | 1 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
2-hydroxycinnamic acid
trans-2-coumaric acid : The trans-isomer of 2-coumaric acid.. 2-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. | 2.04 | 1 | 0 | 2-coumaric acid;
phenols | antioxidant;
metabolite |
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. | 2.04 | 1 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
sinapinic acid
sinapinic acid: a matrix for matrix-assisted laser desorption technique for protein MW determination; a constituent of propolis. trans-sinapic acid : A sinapic acid in which the double bond has trans-configuration. | 2.04 | 1 | 0 | sinapic acid | MALDI matrix material;
plant metabolite |
sesquiterpenes
[no description available] | 1.99 | 1 | 0 | | |
tetrahydropalmatine
[no description available] | 2.07 | 1 | 0 | | |
quercetin
[no description available] | 2.11 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
acacetin
5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. | 2.17 | 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. | 2.17 | 1 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
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 | 2.31 | 1 | 0 | tyramines | metabolite |
hispidol
hispidol : A hydroxyaurone that is aurone substituted by hydroxy groups at positions 6 and 4' respectively. | 2.17 | 1 | 0 | hydroxyaurone | plant metabolite |
costunolide
[no description available] | 2.31 | 1 | 0 | germacranolide;
heterobicyclic compound | anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite |
eupatolide
eupatolide: sesquiterpene lactone from Eupatorium formasanum HAY; structure. eupatolide : A germacranolide with formula C15H20O3, isolated from several Inula species. It exhibits anti-cancer properties. | 2.31 | 1 | 0 | gamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol | antineoplastic agent;
plant metabolite |
pachypodol
pachypodol: new flavonoid isolated from Pachypodanthium confine; from Chinese herb Agastache folium; structure. pachypodol : A trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3' are replaced by methoxy groups. It has been isolated from Combretum quadrangulare and Euodia elleryana. | 7.11 | 1 | 0 | dihydroxyflavone;
trimethoxyflavone | antiemetic;
plant metabolite |
brefeldin a
[no description available] | 7.11 | 1 | 0 | macrolide antibiotic | Penicillium metabolite |
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide
3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide: found in high concentration in Spinacia oleracea following administration of diphenyl ether herbicides; structure in first source; RN given refers to cpd without isomeric designation | 2.31 | 1 | 0 | hydroxycinnamic acid | metabolite |
alternariol monomethyl ether
djalonensone : A benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins. | 2.17 | 1 | 0 | aromatic ether;
benzochromenone | antifungal agent;
fungal metabolite;
mycotoxin |
2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide
2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide: an IKK-2 kinase inhibitor; structure in first source | 2.31 | 1 | 0 | aromatic amide;
thiophenes | |
oxadiazoles
Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms. | 2.83 | 3 | 0 | | |
transforming growth factor beta
Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins. | 2.6 | 1 | 0 | | |