| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
aa 861
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone: structure given in first source. docebenone : A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group. | 1.98 | 1 | 0 | 1,4-benzoquinones;
acetylenic compound;
primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor |
nsc-526417
[no description available] | 2.07 | 1 | 0 | | |
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. | 2.07 | 1 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
troglitazone
Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity. | 2.03 | 1 | 0 | chromanes;
thiazolidinone | anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent |
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. | 2.07 | 1 | 0 | trihydroxyanthraquinone | biological pigment;
histological dye;
plant metabolite |
acriflavine chloride
3,6-diamino-10-methylacridinium chloride : The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine. | 2.07 | 1 | 0 | organic chloride salt | antibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator |
pyronine
Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.. pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method. | 2.07 | 1 | 0 | iminium salt;
organic chloride salt | histological dye |
1-amino-4-hydroxyanthraquinone
[no description available] | 2.07 | 1 | 0 | | |
5-amino-2-naphthalenesulfonate
[no description available] | 2.07 | 1 | 0 | aminonaphthalenesulfonic acid | |
rhein
[no description available] | 2.07 | 1 | 0 | dihydroxyanthraquinone | |
c 137
C 137: RN given refers to parent cpd | 2.07 | 1 | 0 | | |
ethidium bromide
[no description available] | 2.07 | 1 | 0 | organic bromide salt | geroprotector;
intercalator;
trypanocidal drug |
rafoxanide
Rafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations. | 2.07 | 1 | 0 | | |
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
[no description available] | 2.07 | 1 | 0 | anthracycline | |
daunorubicin hydrochloride
[no description available] | 2.07 | 1 | 0 | anthracycline | |
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. | 3.25 | 6 | 0 | isocoumarins | |
dimidium bromide
[no description available] | 2.07 | 1 | 0 | | |
2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid
2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid: structure given in first source | 2.07 | 1 | 0 | | |
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively. | 2.07 | 1 | 0 | pentahydroxyflavone | |
4-chloro-3-(2,4-dihydroxyphenylazo)-2-hydroxybenzene-1-sulfonic acid
[no description available] | 2.07 | 1 | 0 | | |
p-methoxy-n-methylphenethylamine
p-Methoxy-N-methylphenethylamine: A potent mast cell degranulator. It is involved in histamine release.. N,O-dimethyltyramine : A secondary amino compound that is tyramine in which the hydrogen of the phenolic hydroxy group has been replaced by a methyl group. | 2 | 1 | 0 | aromatic ether;
secondary amino compound | metabolite |
hydrangenol
hydrangenol: allergen; an isocoumarin. hydrangenol : A member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-allergic activity. | 2.91 | 4 | 0 | dihydroisocoumarins;
phenols | anti-allergic agent;
plant metabolite |
phacidin
phacidin: fungal growth inhibitor from Potebniamyces balsamicola var. boycei; also active against bacteria | 2.07 | 1 | 0 | | |
3'-deamino-3'-hydroxydaunorubicin
3'-deamino-3'-hydroxydaunorubicin: structure given in first source | 2.07 | 1 | 0 | | |
phyllodulcin, (r)-isomer
phyllodulcin: RN given refers to cpd without isomeric designation; structure | 2.91 | 4 | 0 | hydroxybenzoic acid | |
lunularin
lunularin: first source misnames compound; structure in first source | 2 | 1 | 0 | stilbenoid | |
nsc 36398
NSC 36398: structure in first source | 2.07 | 1 | 0 | | |
nsc 74859
NSC 74859: inhibits Stat3 binding activity; structure in first source. S3I-201 : An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid. | 2.07 | 1 | 0 | amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester | STAT3 inhibitor |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 2.9 | 4 | 0 | | |
nsc-260594
NSC-260594: structure in first source | 2.07 | 1 | 0 | | |
hematoxylin
[no description available] | 2.07 | 1 | 0 | haematoxylin | |
nsc668394
[no description available] | 2.07 | 1 | 0 | | |
n,n-dimethyldaunorubicin
[no description available] | 2.07 | 1 | 0 | | |
jp-1302
[no description available] | 2.07 | 1 | 0 | | |
stilbenes
Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene. | 2 | 1 | 0 | stilbene | |
calmidazolium
calmidazolium chloride : The organic choride salt of calmidazolium. | 2.07 | 1 | 0 | organic chloride salt | apoptosis inducer;
calmodulin antagonist |
2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
[no description available] | 2.07 | 1 | 0 | aryl sulfide | |
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. | 2 | 1 | 0 | catechols;
polyphenol;
resorcinols;
stilbenol | antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor |
4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid
[no description available] | 2.07 | 1 | 0 | trihydroxybenzoic acid | |
umi-77
UMI-77: an Mcl-1 inhibitor; structure in first source | 2.07 | 1 | 0 | | |
N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide
[no description available] | 2.07 | 1 | 0 | coumarins | |
3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid
[no description available] | 2.07 | 1 | 0 | nitronaphthalene | |
N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide
[no description available] | 2.07 | 1 | 0 | quinoxaline derivative | |
9-methoxy-n(2)-methylellipticinium iodide
[no description available] | 2.07 | 1 | 0 | | |
3-(2-furanyl)-N-[3-(2-furanyl)-4-methylpentyl]-4-phenylbutanamide
[no description available] | 2.07 | 1 | 0 | fatty amide | |
gw 7647
GW 7647: a PPAR-alpha agonist; structure in first source. GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group. | 2.07 | 1 | 0 | aryl sulfide;
monocarboxylic acid;
ureas | PPARalpha agonist |
N-[(4-methylphenyl)methyl]-4-(1-pyrrolyl)benzamide
[no description available] | 2.07 | 1 | 0 | benzamides | |
luteolin
[no description available] | 2.04 | 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 |
gamma-linolenic acid
gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed). gamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12. | 2.07 | 1 | 0 | linolenic acid;
omega-6 fatty acid | human metabolite;
mouse metabolite;
plant metabolite |
alpha-linolenic acid
linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.. linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid. | 2.07 | 1 | 0 | linolenic acid;
omega-3 fatty acid | micronutrient;
mouse metabolite;
nutraceutical |
diosmin
[no description available] | 2.07 | 1 | 0 | dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside | anti-inflammatory agent;
antioxidant |
myricetin
[no description available] | 2.07 | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
tranilast
tranilast: antiallergic drug; potent inhibitor of homologous passive cutaneous anaphylaxis. tranilast : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 3,4-dimethoxycinnamoyl group. | 1.99 | 1 | 0 | amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide | anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent |
cyclosporine
ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF | 1.99 | 1 | 0 | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite |
thunberginol a
thunberginol A: isolated from Hydrangeae dulcis folium; structure given in first source | 3.38 | 7 | 0 | | |
4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
[no description available] | 2.07 | 1 | 0 | quinolines | |
ag 538
AG 538: an IGF-1 receptor kinase inhibitor; structure in first source | 2.07 | 1 | 0 | | |
Diosmetin rutinoside
[no description available] | 2.07 | 1 | 0 | flavonoids;
glycoside | |
cefixime
[no description available] | 2.07 | 1 | 0 | cephalosporin | antibacterial drug;
drug allergen |
10H-phenanthro[9,10-g]pteridine-11,13-dione
[no description available] | 2.07 | 1 | 0 | flavin | |
3-(dimethylamino)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester
[no description available] | 2.07 | 1 | 0 | hydroxycoumarin | |
thunberginol f
thunberginol F: isolated from Hydrangeae dulcis folium; structure given in first source. thunberginol F : An isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a 3,4-dihydroxybenzylidene group at position 3. It has been isolated from the roots of Scorzonera judaica. | 3.25 | 6 | 0 | catechols;
gamma-lactone;
isobenzofuranone | metabolite;
plant metabolite |
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. | 2.07 | 1 | 0 | C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone | animal metabolite;
histological dye |
cefotaxime sodium
[no description available] | 2.07 | 1 | 0 | organic sodium salt | |
calcimycin
Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems. | 2.71 | 3 | 0 | benzoxazole | |
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-nitro-3-thiophenyl)thio]acetamide
[no description available] | 2.07 | 1 | 0 | anilide | |
3,6-diamino-10-methylacridinium chloride hydrochloride
3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. | 2.07 | 1 | 0 | hydrochloride | antibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator |
quercetin
[no description available] | 2.07 | 1 | 0 | | |
montelukast sodium
[no description available] | 2.07 | 1 | 0 | organic sodium salt | |
acid blue 129
[no description available] | 2.07 | 1 | 0 | | |
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-5-bromo-2-furancarboxamide
[no description available] | 2.07 | 1 | 0 | acetamides;
anilide | |
navitoclax
[no description available] | 2.07 | 1 | 0 | aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
6-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
3-(2-chlorophenyl)-6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
3-(2-chlorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-3-[2-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
[no description available] | 2.07 | 1 | 0 | triazoles | |
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. | 2.9 | 4 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
methacycline monohydrochloride
[no description available] | 2.07 | 1 | 0 | | |
galloflavin
galloflavin: structure in first source | 2.07 | 1 | 0 | | |