Exact Mass: 268.01072120000003
Exact Mass Matches: 268.01072120000003
Found 369 metabolites which its exact mass value is equals to given mass value 268.01072120000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
DL-Homocystine
Homocystine is the oxidized form of homocysteine. Homocystine is a dipeptide consisting of two homocysteine molecules joined by a disulfide bond. Homocysteine is a sulfur-containing amino acid that arises during methionine metabolism. Homocystine occurs only transiently before being reduced to homocysteine and converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Homocystine and homocysteine-cysteine mixed disulfides account for >98\\\\\% of total homocysteine in plasma from healthy individuals (PMID 11592966). Homocystine has been shown to stereospecifically induce endothelial nitric oxide synthase-dependent lipid peroxidation in endothelial cells, thereby inducing a vascular cell type-specific oxidative stress. This vascular stress is associated with atherothrombotic cardiovascular disease (PMID: 14980706). High levels of homocysteine (and homocysteine) can be found in individuals suffering from homocystinura due to cystathionine synthase deficiency (PMID: 4685596) Homocystine is the double-bonded form of homocysteine, but it occurs only transiently before being converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H041 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. DL-Homocystine is the double-bonded form of homocysteine and homocysteine is recognized as an important substance in the pathogenesis and pathophysiology of schizophrenia. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.
Dichlorophen
CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5088; ORIGINAL_PRECURSOR_SCAN_NO 5083 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5049; ORIGINAL_PRECURSOR_SCAN_NO 5048 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5109; ORIGINAL_PRECURSOR_SCAN_NO 5106 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5084; ORIGINAL_PRECURSOR_SCAN_NO 5079 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5069; ORIGINAL_PRECURSOR_SCAN_NO 5064 CONFIDENCE standard compound; INTERNAL_ID 1137; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5046; ORIGINAL_PRECURSOR_SCAN_NO 5041 P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3648 CONFIDENCE standard compound; INTERNAL_ID 2375
Coumesterol
Cumoesterol (or coumestrol), a coumestan isoflavone, has estrogenic properties (phytoestrogens are compounds structurally and functionally similar to 17-estradiol) and is an isoflavonoid phytoalexin produced by soybeans, a low molecular weight antimicrobial compound that is synthesized de novo and accumulates in plants after exposure to microorganisms (i.e.: phytoalexin induction and accumulation in soybean cotyledon tissue is observed with four species of Aspergillus: A. sojae, A. oryzae, A. niger, and A. flavus) (PMID: 10888516). Coumestrol is a naturally occurring plant coumarin that displays high affinity for the hormone-binding site of the human estrogen receptor (hER), for which it serves as a potent non-steroidal agonist. Coumestrol emits intense blue fluorescence when bound to this protein, making it ideally suited for use as a cytological stain to detect ER in fixed and intact cells. Such observations illustrate the potential for using coumestrol to investigate real-time effects of a variety of physiological stimuli on the subcellular distribution of hER in living cells (PMID: 8315272). Coumestrol is a member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. It has a role as an anti-inflammatory agent, an antioxidant and a plant metabolite. It is a member of coumestans, a delta-lactone and a polyphenol. It is functionally related to a coumestan. Coumestrol is a natural product found in Campylotropis hirtella, Melilotus messanensis, and other organisms with data available. A daidzein derivative occurring naturally in forage crops which has some estrogenic activity. See also: Medicago sativa whole (part of). Isolated from Medicago subspecies, Glycine max (soybean), Pisum sativum (pea), Spinacia oleracea (spinach), Brassica oleracea (cabbage), Dolichos biflorus (papadi), Melilotus alba (white melilot), Phaseolus subspecies (inc. lima beans, pinto beans) and Vigna unguiculata (all Leguminosae). Potential nutriceutical D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.
phenazine-1,6-dicarboxylate
A member of the class of phenazines carrying carboxy substituents at positions 1 and 6. A natural product found in Streptomyces species. CONFIDENCE standard compound; INTERNAL_ID 187
DL-Homocystine
4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. DL-Homocystine is the double-bonded form of homocysteine and homocysteine is recognized as an important substance in the pathogenesis and pathophysiology of schizophrenia.
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2-bithiophene is found in herbs and spices. 5-(4-Chloro-3-hydroxy-1-butynyl)-2,2-bithiophene is isolated from Tagetes minuta (Mexican marigold). Isolated from Tagetes minuta (Mexican marigold). 5-(4-Chloro-3-hydroxy-1-butynyl)-2,2-bithiophene is found in herbs and spices.
(-)-Dioxibrassinin
(-)-Dioxibrassinin is found in brassicas. (-)-Dioxibrassinin is an alkaloid from cabbage inoculated with Pseudomonas cichorii. Alkaloid from cabbage inoculated with Pseudomonas cichorii. (-)-Dioxibrassinin is found in cauliflower and brassicas.
L-Homocystine
Homocystine is the oxidized form of homocysteine. Homocystine is a dipeptide consisting of two homocysteine molecules joined by a disulfide bond. Homocysteine is a sulfur-containing amino acid that arises during methionine metabolism. Homocystine occurs only transiently before being reduced to homocysteine and converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Homocystine and homocysteine-cysteine mixed disulfides account for >98\\\% of total homocysteine in plasma from healthy individuals (PMID 11592966). Homocystine has been shown to stereospecifically induce endothelial nitric oxide synthase-dependent lipid peroxidation in endothelial cells, thereby inducing a vascular cell type-specific oxidative stress. This vascular stress is associated with atherothrombotic cardiovascular disease (PMID: 14980706). High levels of homocysteine (and homocysteine) can be found in individuals suffering from homocystinura due to cystathionine synthase deficiency (PMID: 4685596) Homocystine is the double-bonded form of homocysteine, but it occurs only transiently before being converted to the harmless cystathionine via a vitamin B6-dependent enzyme. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.
Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate
Metoprine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents
Pyran-3,4-dicarboxylic anhydride, tetrahydro-2-methyl-6-(tetrahydro-2,5-dioxo-3-furyl)-, polymer
Penicillamine cysteine disulfide
sparstolonin B
Cumestrol
Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.
2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile
4-Methoxy-5-bromo-2,2-bi[1H-pyrrole]-5-carbaldehyde
(1S,5R,6R)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl furan-2-carboxylate|epoxydine B
methyl 5-deoxy-5-(dimethylarsinoyl)-beta-D-riboside
3-hydroxymethylfuro[3,2-b]naphtho[2,3-d]furan-5,10-dione
2,5,6,7,8-pentahydroxy-3-methoxynaphthalene-1,4-dione
Homocystine
An organic disulfide obtained by oxidative dimerisation of homocysteine. 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite.
L-Homocystine
A homocystine in which both chiral centres have L configuration. 4,4'-Disulfanediylbis(2-aminobutanoic acid) is an endogenous metabolite. L-Homocystine is the oxidized member of the L-homocysteine. Homocysteine is a pro-thrombotic factor, vasodilation impairing agent, pro-inflammatory factor and endoplasmatic reticulum-stress inducer used to study cardiovascular disease mechanisms.
Coumestrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.
Dichlorophen
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticestodals D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8652
PharmaGSID_47259
CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7067; ORIGINAL_PRECURSOR_SCAN_NO 7066 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7070; ORIGINAL_PRECURSOR_SCAN_NO 7068 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7088; ORIGINAL_PRECURSOR_SCAN_NO 7086 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7088 CONFIDENCE standard compound; INTERNAL_ID 1376; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7102; ORIGINAL_PRECURSOR_SCAN_NO 7098
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene
3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
C8H9ClO4S2 (267.96307840000003)
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
ETHYL 6-BROMOH-PYRROLO[1,2-F]PYRIMIDINE-3-CARBOXYLATE
2,4-Imidazolidinedione,5-(3-bromophenyl)-5-methyl-
2-(6-chloropyridin-3-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonitrile
C12H7F3N2S (268.02820180000003)
methyl 3-(bromomethyl)-2-benzofurancarboxylate
C11H9BrO3 (267.97350240000003)
N-(3,4-DICHLOROPHENYL)-2-(METHYLAMINO)ACETAMIDE HYDROCHLORIDE
C9H11Cl3N2O (267.99369260000003)
Methyl 2-amino-5-(4-chlorophenyl)thiazole-4-carboxylate
methyl 6-bromo-2H-chromene-3-carboxylate
C11H9BrO3 (267.97350240000003)
3-[(4-CHLOROBENZYL)OXY]-2-THIOPHENECARBOXYLIC ACID
6-Bromo-8-methoxy-3-formyl-2H-chromene
C11H9BrO3 (267.97350240000003)
Methyl 2-amino-4-(4-chlorophenyl)thiazole-5-carboxylate
4-(FURAN-3-YL)-2-OXO-6-(THIOPHEN-2-YL)-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
ethyl 6-bromobenzofuran-3-carboxylate
C11H9BrO3 (267.97350240000003)
2-(4-bromophenyl)-5,5-dimethyl-1,3,2-dioxaborinane
(4-BROMO-1-FLUORONAPHTHALEN-2-YL)BORONIC ACID
C10H7BBrFO2 (267.97064639999996)
2-Diazo-1-naphthol-4-sulfonyl chloride
C10H5ClN2O3S (267.97094100000004)
TRICARBONYL(1,2,3,4-TETRAHYDRONAPHTHALENE)CHROMIUM
Methyl 2-amino-4-(2-chlorophenyl)thiazole-5-carboxylate
Methyl 2-amino-4-(3-chlorophenyl)thiazole-5-carboxylate
4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carbonitrile
Sodium phosphate dibasic heptahydrate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
2,3,6,7-naphthalenetetracarboxylic acid dianhydride
l-glyceric acid calcium salt dihydrate
C6H12CaO9 (268.01072120000003)
3-Aminotyrosine dihydrochloride hydrate
C9H14Cl2N2O3 (268.03814339999997)
4-chloro-6,7-difluoro-2-(trifluoromethyl)quinazoline
Ethyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
(E)-METHYL 4-(4-BROMOPHENYL)-2-OXOBUT-3-ENOATE
C11H9BrO3 (267.97350240000003)
phenyl N-(5-chloro-4-methyl-1,3-thiazol-2-yl)carbamate
6-(2-FURYL)-2-OXO-4-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
3-(2-Hydroxyethyl)-5[1-methyl-4(1H)-pyridylidene]rhodanine
ethyl 5-(4-chlorophenyl)-1,2,4-thiadiazole-3-carboxylate
1-BROMO-IMIDAZO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
8-CHLORO-2-CHLOROMETHYL-6-TRIFLUOROMETHYL-IMIDAZO[1,2-A]PYRIDINE
7-BROMO-4-METHYL-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE
1-(bromomethyl)-3-methoxy-5-(trifluoromethyl)benzene
ETHYL5-CHLORO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
C12H10ClFN2O2 (268.04148019999997)
2-Bromo-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester
2-(bromomethyl)-1-methoxy-4-(trifluoromethyl)benzene
4-Chloro-methyl-dioxo benzenebutanoic acid ethyl ester
Ethyl 5-bromobenzofuran-2-carboxylate
C11H9BrO3 (267.97350240000003)
1-[[2-(2,4-DICHLOROPHENYL)OXIRANYL]METHYL]-1H-IMIDAZOLE
4-(Bromomethyl)-7-methoxy-2H-chromen-2-one
C11H9BrO3 (267.97350240000003)
6-Bromo-1H-benzimidazole-2-carboxylic acid ethyl ester
5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylicacid ethylester
Ethyl 6-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
3-(2-Methylpyrimidin-4-yl)benzene-1-sulfonylchloride
Ethyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
1-CHLORO-2,4-BIS-METHANESULFONYL-BENZENE
C8H9ClO4S2 (267.96307840000003)
ethyl 3-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
4-(2-FURYL)-2-OXO-6-(2-THIENYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
1H-PYRROLO[2,3-B]PYRIDINE, 4-BROMO-1-(TRIMETHYLSILYL)-
5-BROMO-3-((TRIMETHYLSILYL)ETHYNYL)PYRIDIN-2-AMINE
3-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
(E)-METHYL 4-(3-BROMOPHENYL)-2-OXOBUT-3-ENOATE
C11H9BrO3 (267.97350240000003)
(2,5,6-TRIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)-ACETIC ACID
p-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
5-(BENZO-[B]-THIOPHEN-3-YL)-3-(TRIFLUOROMETHYL)PYRAZOLE
C12H7F3N2S (268.02820180000003)
7-Bromo-2-benzofurancarboxylic acid ethyl ester
C11H9BrO3 (267.97350240000003)
Methyl 8-Bromo-6-Methylimidazo[1,2-a]pyridin-2-carboxylate
4-Chloro-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-1H-pyrrolo[2,3 -b]pyridine
ETHYL 5-BROMOBENZOFURAN-3-CARBOXYLATE
C11H9BrO3 (267.97350240000003)
Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate
7-BROMO-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
2-methyl-5-methylsulfonylbenzenesulfonyl chloride
C8H9ClO4S2 (267.96307840000003)
nifurtoinol
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XE - Nitrofuran derivatives C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents
1,3-Benzenedicarboxylicacid, 5-sulfo-, sodium salt (1:?)
ETHYL5-CHLORO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
C12H10ClFN2O2 (268.04148019999997)
ETHYL5-CHLORO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
C12H10ClFN2O2 (268.04148019999997)
3-amino-N-tert-butyl-5-chlorothiophene-2-sulfonamide
methyl 2-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
ethyl 6-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
2-CHLORO-N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-ACETAMIDE
7-(CARBOXYMETHOXY)-3-CHLORO-4-METHYLCOUMARIN
C12H9ClO5 (268.01384939999997)
Ethyl 6-bromo-1H-pyrrolo[1,2-a]pyrazine-3-carboxylate
3-CHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)PROPANAMIDE
Ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
5-(Chlorosulfonyl)-2-Diazonio-1-Naphthalenolate
C10H5ClN2O3S (267.97094100000004)
4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine
1-ACETYL-6,6-DIMETHYL-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHEN-4-ONE
4,5-DICHLORO-2-(4-METHYLBENZYL)-2,3-DIHYDROPYRIDAZIN-3-ONE
5-(2-bromoacetyl)-4-methylisobenzofuran-1(3H)-one
C11H9BrO3 (267.97350240000003)
2-Carboxymethoxy-5-methylbenzenesulfonic Acid Sodium Salt
2-(2,4-DICHLOROBENZOYL)-3-(DIMETHYLAMINO)ACRYLONITRILE
3-METHYL-2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOLE-6-SULFONYL CHLORIDE
(2-Methyl-5-((trifluoromethyl)sulfonyl)phenyl)boronic acid
4-Chloro-2-(pyridin-2-yl)-6-(pyridin-3-yl)-pyrimidine
7-Bromoimidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
4-(ACETYLAMINO)-6-NITRO-1,3-BENZENEDICARBOXYLIC ACID
METHYL 5-CYANO-2-(DIMETHOXYMETHYL)-6-MERCAPTONICOTINATE
4-methylumbelliferyl phosphate, dilithium salt
C10H7Li2O6P (268.03003520000004)
5-(3,4,5-TRIMETHOXY-PHENYL)-[1,3,4]OXADIAZOLE-2-THIOL
(4-((4H-1,2,4-Triazol-4-yl)carbamoyl)phenyl)boronic acid hydrochloride
[4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid
Methyl 7-bromo-2H-chromene-3-carboxylate
C11H9BrO3 (267.97350240000003)
2-Butenoic acid 3-(diethoxyphosphinothioyl)methyl ester
6-(2,5-Dioxotetrahydrofuran-3-yl)-4-methyltetrahydro-1H-furo[3,4-c]pyran-1,3(6H)-dione
Metoprine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents
Cumostrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM. Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.
3-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide
(E)-2-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide
5-amino-2-(aminomethyl)-4,8-dioxo-1,3-dioxocane-2-sulfonic acid
7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one
A member of the class of benzothiazines that is 3,4-dihydro-2H-1,4-benzothiazin-3-one bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively.
3-Bromo-7-hydroxy-4,8-dimethylcoumarin
C11H9BrO3 (267.97350240000003)
2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoic acid
C8H7Cl2FN2O3 (267.98177439999995)
5-chloro-4-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
C10H9ClN4OS (268.01855739999996)
3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid
(4S,5S)-2-(1-Bromoethyl)-4,5-bis(methoxymethyl)-1,3-dioxolane
(5aS)-5,5a-Dihydrophenazine-1,6-dicarboxylate
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.
(2S)-2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid
homocystine zwitterion
Dizwitterionic form of homocystine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3.
3-Bromocytisine
3-Bromocytisine (3-Br-cytisine) is a potent nACh receptors agonist, with IC50s are 0.28, 0.30 and 31.6 nM for hα4β4, hα4β2, and hα7-nACh, respectively. 3-Bromocytisine (3-Br-cytisine) shows different effects on high (HS) and low (LS) ACh sensitivity α4β2 nAChRs with EC50s are 8 and 50 nM, respectively[1][2].
VU0364770 (hydrochloride)
VU0364770 hydrochloride is a selective and potent positive allosteric modulator (PAM) of mGlu4. VU0346770 hydrochloride exhibits EC50s of 290 nM and 1.1 μM at rat mGlu4 and human mGlu4 receptor, respectively. VU0364770 hydrochloride exhibits antagonist activity at mGlu5 with a potency of 17.9 μM and PAM activity at mGlu6 with a potency of 6.8 μM. VU0364770 hydrochloride also possesses activity at MAO with Ki values of 8.5 and 0.72 μM for human MAO-A and human MAO-B, respectively[1].
9-chloro-3-(methylsulfanyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-10,11-dione
4,5-dihydroxyanthraquinone-2-carboxylic acid; aldehyde
{"Ingredient_id": "HBIN010019","Ingredient_name": "4,5-dihydroxyanthraquinone-2-carboxylic acid; aldehyde","Alias": "NA","Ingredient_formula": "C15H8O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7915","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-2-carboxyanthraquinone
{"Ingredient_id": "HBIN010449","Ingredient_name": "4-hydroxy-2-carboxyanthraquinone","Alias": "NA","Ingredient_formula": "C15H8O5","Ingredient_Smile": "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9890","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}