Exact Mass: 236.04041719999998
Exact Mass Matches: 236.04041719999998
Found 500 metabolites which its exact mass value is equals to given mass value 236.04041719999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Amalorin
Amalorin is an organic heterotetracyclic compound and an alkaloid. 11-Hydroxycanthin-6-one is a natural product found in Brucea javanica, Amaroria soulameoides, and other organisms with data available.
5,6,7-Trimethoxycoumarin
A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7.
Isosorbide Dinitrate
Isosorbide Dinitrate is only found in individuals that have used or taken this drug. It is a vasodilator used in the treatment of angina pectoris. Its actions are similar to nitroglycerin but with a slower onset of action. [PubChem]Similar to other nitrites and organic nitrates, isosorbide dinitrate is converted to nitric oxide (NO), an active intermediate compound which activates the enzyme guanylate cyclase (atrial natriuretic peptide receptor A). This stimulates the synthesis of cyclic guanosine 3,5-monophosphate (cGMP) which then activates a series of protein kinase-dependent phosphorylations in the smooth muscle cells, eventually resulting in the dephosphorylation of the myosin light chain of the smooth muscle fiber. The subsequent release of calcium ions results in the relaxation of the smooth muscle cells and vasodilation. C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AE - Muscle relaxants C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
alpha-(2-Chlorophenyl)benzyl chloride
C13H10Cl2 (236.01595200000003)
8-Dehydro-3-deoxy-D-manno-octulosonate
Isopto cetamide
An organic sodium salt that is the monosodium salt of sulfacetamide. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Brassinin
C11H12N2S2 (236.04418719999998)
Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis)(Cruciferae) heads inoculated with Pseudomonas cichorii. Brassinin is found in cauliflower, chinese cabbage, and brassicas. Brassinin is a dithiocarbamic ester and an indole phytoalexin. Brassinin is a natural product found in Pseudomonas cichorii, Brassica juncea, and other organisms with data available. Brassinin is found in brassicas. Brassinin is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis)(Cruciferae) heads inoculated with Pseudomonas cichorii.
Austdiol
Austdiol is a toxic metabolite of the food storage mould Aspergillus ustu
Zileuton
Leukotrienes are substances that induce numerous biological effects including augmentation of neutrophil and eosinophil migration, neutrophil and monocyte aggregation, leukocyte adhesion, increased capillary permeability, and smooth muscle contraction. These effects contribute to inflammation, edema, mucus secretion, and bronchoconstriction in the airways of asthmatic patients. Zileuton relieves such symptoms through its selective inhibition of 5-lipoxygenase, the enzyme that catalyzes the formation of leukotrienes from arachidonic acid. Specifically, it inhibits leukotriene LTB4, LTC4, LTD4, and LTE4 formation. Both the R(+) and S(-) enantiomers are pharmacologically active as 5-lipoxygenase inhibitors in in vitro systems. D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
Dillapional
Minor constituent of Anethum sowa (Indian dill) oil. Dillapional is found in dill and herbs and spices. Dillapional is found in dill. Dillapional is a minor constituent of Anethum sowa (Indian dill) oi
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables. (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is a constituent of Rheum sp. (rhubarb). Constituent of Rheum species (rhubarb). (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables.
Apional
Apional is found in herbs and spices. Apional is a constituent of parsley (Petroselinum hortense). Constituent of parsley (Petroselinum hortense). Apional is found in herbs and spices.
1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide
1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is found in onion-family vegetables. 1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is isolated from onion (Allium cepa). Isolated from onion (Allium cepa). 1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is found in garden onion and onion-family vegetables.
Cysteinyl-Aspartate
C7H12N2O5S (236.04669019999997)
Cysteinyl-Aspartate is a dipeptide composed of cysteine and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Aspartyl-Cysteine
C7H12N2O5S (236.04669019999997)
Aspartyl-Cysteine is a dipeptide composed of aspartate and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
2-Propenyl 1-(2-propenylsulfinyl)propyl disulfide
2-Propenyl 1-(2-propenylsulfinyl)propyl disulfide is found in onion-family vegetables. 2-Propenyl 1-(2-propenylsulfinyl)propyl disulfide is a constituent of Allium tricoccum (wood leek). Constituent of Allium tricoccum (wood leek). 2-Propenyl 1-(2-propenylsulfinyl)propyl disulfide is found in onion-family vegetables.
1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide
1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide is found in onion-family vegetables. 1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide is a constituent of Allium sp Constituent of Allium species 1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide is found in onion-family vegetables.
2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide
2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is found in onion-family vegetables. 2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is a constituent of Allium species Constituent of Allium subspecies 2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is found in onion-family vegetables.
N-Acetyl-3-(nitrosulfanyl)-L-valine
C7H12N2O5S (236.04669019999997)
Sorbinil
C11H9FN2O3 (236.05971759999997)
Thiourea, (5-phenyl-1,2,4-thiadiazol-3-yl)-
Dimethylfraxetin
6,7,8-trimethoxy-1-benzopyran-2-one is a member of coumarins. Dimethylfraxetin is a natural product found in Pittosporum illicioides, Garcinia multiflora, and other organisms with data available. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM.
Methylspinazarin
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors
Murrayacarpin B
8-(Hydroxymethyl)-5,7-dimethoxychromen-2-one is a natural product found in Murraya paniculata with data available.
9-Hydroxycanthin-6-one
An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 9. Isolated from the roots of Eurycoma longifolia, it exhibits antineoplastic activity.
1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione
4-(2-amino-3-chloro-phenyl)-pyrrole-2-carboxylic acid
(3R)-5-carbomethoxymellein|(R)-(-)-5-methoxycarbonylmellein|5-carbomethoxy-3,4-dihydro-8-hydroxy-(3R)-methylisocoumarin|5-methoxycarbonylmellein
6-hydroxy-7,8-dimethoxy-4-methyl-chromen-2-one|6-hydroxy-7,8-dimethoxy-4-methyl-coumarin|6-Hydroxy-7,8-dimethoxy-4-methyl-cumarin|troupin (F)
3-(chloromethylidene)-1-benzoxepine-7-carboxylic acid
8,10-Dioxo-5,6,9,10-tetrahydro-4H,8H-pyrimido[1,2,3-cd]purine-5-carboxylic acid
(2E,4E)-2-ethyl-5-(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)penta-2,4-dienoic acid|2,3-didehydrotelfairic anhydride
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 8-hydroxy-
3,6,7,8-tetrahydro-4,7,8-trihydroxynaphtho[2,3-c]furan-5(1H)-one|nodulone
5-Hydroxy-3-methyl-2-(hydroxymethyl)-7-methoxychromone
4,5-Methylene ether,2,4-dinitrophenylhydrazone-1-(2,4,5-Trihydroxyphenyl)-1-propanone,
6-hydroxy-4-hydroxymethyl-8-methoxy-3-methylisocoumarin
5-carboxyl-2-[2-(1,2-dihydroxyisopropyl)]benzofuran
7-Acetoxy-6-methoxy-chroman-2-on|7-acetoxy-6-methoxy-chroman-2-one
8S-(2)-8-(4-hydroxy-3-methoxybenzoyl)dihydrofuran-8(8H)-one
(E)-methyl 3-methoxy-2-[3,4-(methylenedioxy)phenyl]propenoate
Tri-Me ether-5,7,8-Trihydroxy-2H-1-benzopyran-2-one
3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid|4-hydroxy-3-(3,4-dihydroxy-3-methylbut-1-ynyl)benzoic acid
2-(hydroxymethyl)-6-methylmethyleugenin|5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one
3(R)-methyl-6-methoxy-7,8-methylenedioxydihydroisocoumarin|dihydroinversin
6-Me ether,4-Ac-4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone
3-methoxy-4,5-methylenedioxycinnamic acid methyl ester|methyl (2E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate
1-Hydroxycathi-6-one
1-Hydroxycanthin-6-one is a natural product found in Eurycoma longifolia with data available.
MSFXSDYNQKVMTJ-UHFFFAOYSA-N
5,7,8-Trimethoxycoumarin is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum ailanthoides, and other organisms with data available.
ervine
10-hydroxycanthin-6-one is an indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is an indole alkaloid and an organic heterotetracyclic compound. It is functionally related to a canthin-6-one. 10-Hydroxycanthin-6-one is a natural product found in Vinca major, Eurycoma longifolia, and Vinca minor with data available. An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, it exhibits antineoplastic activity.
2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone
3-(1-hydroxy-2-oxobutylidene)-6-[(E)-prop-1-enyl]pyran-2,4-dione
(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde
ZILEUTON
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde [IIN-based: Match]
6,7,8-trimethoxychromen-2-one [IIN-based: Match]
6,7,8-trimethoxychromen-2-one [IIN-based on: CCMSLIB00000845945]
1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione_major
Zyflo
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
Cys-asp
C7H12N2O5S (236.04669019999997)
Brassinin
C11H12N2S2 (236.04418719999998)
1-Propenyl 1-(2-propenylsulfinyl)propyl disulfide
2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide
1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
(E)-1-(4-hydroxy-2-oxo-6-(prop-1-en-1-yl)-2H-pyran-3-yl)butane-1,2-dione
5-AMINO-1-(3-CHLORO-4-FLUOROPHENYL)-4-CYANOPYRAZOLE
ETHYL 1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBOXYLATE
N-(4-(AMINOMETHYL)PHENYL)METHANESULFONAMIDE HYDROCHLORIDE
2-Methoxy-4-(trifluoromethoxy)-phenylboronic acid
C8H8BF3O4 (236.04677139999998)
2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid
5-ethoxycarbonyl-4-(trifluoromethyl)pyrimidin-2(1h)-one
(E)-Methyl 3-(7-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)acrylate
[1]Benzothieno[2,3-d]pyrimidine-4(3H)-thione,5,6,7,8-tetrahydro-2-methyl-
C11H12N2S2 (236.04418719999998)
6-[(4-CHLOROPHENYL)SULFANYL]-3-PYRIDINYLAMINE
C11H9ClN2S (236.01749439999998)
5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
ethyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylate
1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
C10H11F3O3 (236.06602519999998)
3-(2-hydroxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
METHYL 5-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
(S)-2-(PYRROLIDIN-3-YLOXY)PYRIDINE DIHYDROCHLORIDE
C9H14Cl2N2O (236.04831339999998)
METHYL3-AMINO-4-(METHYLSULFONYL)THIOPHENE-2-CARBOXYLATE
2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
2-Quinoxalinecarboxylic acid, 7-fluoro-3,4-dihydro-3-oxo-, ethyl ester
C11H9FN2O3 (236.05971759999997)
1,4-Benzodioxin-2-carboxylic acid,2,3-dihydro-6-(2-oxopropyl)-
3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile
5-(methoxycarbonyl)-4-(trifluoromethyl)pyrimidine-2-hydrazine
C7H7F3N4O2 (236.05210780000002)
(2-ISOPROPOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C8H8BF3O4 (236.04677139999998)
Potassium 3-trifluoroboratopropionate tert-butyl ester
ethyl 6-nitropyrazolo[1,5-a]pyrimidine-3-carboxylate
1-chloro-1-[3-(trifluoromethyl)phenyl]propan-2-one
C10H8ClF3O (236.02157439999996)
5-(4-chlorophenyl)-2-methylfuran-3-carboxylic acid
6-(2,2,2-trifluoroethoxy)pyridine-3-carbothioamide
2-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]acetamide
C11H9FN2OS (236.04195959999996)
(3,4-DIMETHOXY-2-(TRIFLUOROMETHYL)PHENYL)METHANOL
C10H11F3O3 (236.06602519999998)
5,5-dimethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione
C10H11F3O3 (236.06602519999998)
1-diethoxyphosphoryl-2,2,2-trifluoroethanol
C6H12F3O4P (236.04252779999996)
3(2H)-Pyridazinone,4-chloro-5-hydrazinyl-2-phenyl-
C10H9ClN4O (236.04648539999997)
3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanenitrile
7-FLUORO-4-OXO-4H-CHROMENE-2-CARBOXYLICACID ETHYL ESTER
3-(1-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-PROPIONIC ACID
4-Amino-N-Methyl-Alpha-Toluenesulfonamide Hydrochloride
(2R,3S)-1-CARBOXY-4-PROPYL-2,3-DIHYDROXY-CYCLOHEXA-4,6-DIENE, POTASSIUM SALT, BALANCE SODIUM SALT, 93
2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetonitrile
4-(4-chlorophenyl)-2-(methylthio)pyrimidine
C11H9ClN2S (236.01749439999998)
5-(4-FLUOROPHENYL)THIOPHENE-2-CARBOXYLI&
C11H9FN2OS (236.04195959999996)
N,N-Dimethyl-3,3-dithiodipropionamide
C8H16N2O2S2 (236.06531560000002)
(5-METHOXY-2-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C8H8BF3O4 (236.04677139999998)
5-(2-chlorophenyl)-2-methylfuran-3-carboxylic acid
2-CHLORO-4-(3-METHYL-1H-PYRAZOL-1-YL)-BENZENECARBOXYLIC ACID
ETHYL 3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLATE
C11H9FN2O3 (236.05971759999997)
1-(3-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
2-amino-5-(4-fluorophenyl)thiophene-3-carboxamide
C11H9FN2OS (236.04195959999996)
5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-2-YL)-[1,3,4]OXADIAZOLE-2-THIOL
2,3-DIHYDRO-5,6-DIMETHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACID
7-METHYL-5,6,7,8-TETRAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIOL
C11H12N2S2 (236.04418719999998)
6-CHLORO-3-METHYL-1-PHENYL-1H-PYRIMIDINE-2,4-DIONE
4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid
3-(Carboxymethyl)-4-hydroxy-1H-pyrrolo[2,3-b]pyridine-2-carboxyli c acid
1-chloro-3-[chloro(phenyl)methyl]benzene
C13H10Cl2 (236.01595200000003)
2-[(5-CHLORO-2-METHOXYPHENYL)AZO]-1H-IMIDAZOLE
C10H9ClN4O (236.04648539999997)
4-Imidazolidinone,5-(1-hydroxyethyl)-3-phenyl-2-thioxo-
ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate
2-(4-CHLORO-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
1-Benzyloxy-2-chloro-4-fluorobenzene
C13H10ClFO (236.04041719999998)
2-(Benzyloxy)-1-chloro-3-fluorobenzene
C13H10ClFO (236.04041719999998)
(Trimethylsilyl)methyl trifluoromethanesulfonate
C5H11F3O3SSi (236.01502519999997)
3-(4-CHLOROPHENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
C10H9ClN4O (236.04648539999997)
(5S)-5-Amino-6-fluoro-L-norleucine dihydrochloride
C6H15Cl2FN2O2 (236.04945619999998)
3-(1,3-Benzodioxol-5-yl)-2-methyl-2-oxiranecarboxylic acid methyl ester
[3-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)propyl]amine hydrochloride
2-Deoxy-alpha-D-erythro-pentofuranosyl chloride diacetate
ethyl 4-nitro-9-oxa-2-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-carboxylate
N-Benzyl-5-chloro-3-fluoropyridin-2-amine
C12H10ClFN2 (236.05165019999998)
4-methyl-6-(5-nitrothiophen-2-yl)pyrimidin-2-amine
3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester
1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA
C9H8F4N2O (236.05727259999998)
3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid
Methyl 3-(5-formyl-2-furyl)thiophene-2-carboxylate
5-(4-CHLOROPHENYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Carbromal
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
5-amino-2-chloro-3-methyl-6-pyridin-4-ylpyrimidin-4-one
C10H9ClN4O (236.04648539999997)
5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE
C10H9ClN4O (236.04648539999997)
SODIUM 5-(ETHOXYCARBONYL)-2-(METHYLTHIO)PYRIMIDIN-4-OLATE
Ethyl 4-hydroxy-2-(trifluoromethyl)-5-pyrimidinecarboxylate
1-ISOBUTYL-3-METHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE
3-(3-HYDROXYPROPYL)-2-MERCAPTOQUINAZOLIN-4(3H)-ONE
(3-METHOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C8H8BF3O4 (236.04677139999998)
MTEP (hydrochloride)
C11H9ClN2S (236.01749439999998)
MTEP hydrochloride is a potent, non-competitive and highly selective mGluR5 antagonist, with an IC50 of 5 nM and a Ki of 16 nM. MTEP hydrochloride shows antidepressant and anxiolytic-like effects. MTEP hydrochloride can be used for Parkinson's disease research[1][2][3][4].
ETHYL 1-METHYL-3-THIEN-2-YL-1H-PYRAZOLE-5-CARBOXYLATE
Sorbinil
C11H9FN2O3 (236.05971759999997)
C471 - Enzyme Inhibitor > C72880 - Aldose Reductase Inhibitor
1-[Pyrrol-1-YL-2,5-dione-methoxymethyl]-pyrrole-2,5-dione
Methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
6-(4-Chlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
C11H9ClN2S (236.01749439999998)
4-[(4-Chlorophenyl)hydrazinylidene]pyrazole-3,5-diamine
3-(4-Chloro-phenyl)-5,6-dihydro-imidazo[2,1-b]thiazole
C11H9ClN2S (236.01749439999998)
ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate
1-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]butane-1,2-dione
N-Acetyl-3-(nitrosulfanyl)-L-valine
C7H12N2O5S (236.04669019999997)
D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate(2-)
C6H9N2O6P-2 (236.01982239999998)
(2S,3R)-2-[(2-aminophenyl)amino]-3-carboxy-3-oxopropanoate
6-Chloro-4-methylsulfanyl-2-phenylpyrimidine
C11H9ClN2S (236.01749439999998)
4-[(2-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
C10H9ClN4O (236.04648539999997)
(R)-3,4-Dihydro-4,6,8-trihydroxy-4,5-dimethyl-3-methyleneisochromen-1-one
A natural product found in Leptosphaeria species.
4-[(4-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
C10H9ClN4O (236.04648539999997)
2-(Ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
(2S,3S,4S,5R)-6-acetyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-Acetyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
nitric acid [(3S,3aR,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester
10-Amino-9-chloro-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
C11H11ClN3O+ (236.05906059999998)
isosorbide dinitrate
C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AE - Muscle relaxants C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate(2-)
C6H9N2O6P (236.01982239999998)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate; major species at pH 7.3.
7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde
Coumestan
A member of the class of coumestans that is 6H-[1]benzofuro[3,2-c]chromene substituted by an oxo group at position 6.
5-hydroxy-6,7-dimethoxy-2-methylchromone
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata.
3-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
2-{[(1e)-3-(methylsulfanyl)-3-oxoprop-1-en-1-yl]oxy}-1-phenylethanone
9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-10,11-dione
methyl 2-(7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl)acetate
3-(6,7-dimethoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal
8-hydroxy-6-methoxy-1-oxoisochromene-3-carboxylic acid
(2s,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione
methyl (2e)-2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate
methyl (3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
(3ar,4r,5s,7ar)-4,5-dihydroxy-4-(3-methylbut-3-en-1-yn-1-yl)-5,7a-dihydro-3ah-1,3-benzodioxol-2-one
5,6,7,8-tetrahydroxy-2-methylnaphthalene-1,4-dione
methyl 8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
3-hydroxy-4-[(2r)-2-methyl-5-oxooxolan-2-yl]benzoic acid
(2e)-3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal
2-Methyl-5-carboxymethyl-7-hydroxychromanone
{"Ingredient_id": "HBIN005994","Ingredient_name": "2-Methyl-5-carboxymethyl-7-hydroxychromanone","Alias": "2-[(2S)-7-hydroxy-4-keto-2-methyl-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]ethanoic acid; 2-methyl-5-carboxymethyl-7-hydroxychromanone; 2-[(2S)-7-hydroxy-2-methyl-4-oxochroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-5-chromanyl]acetic acid","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "236.24","OB_score": "14.79619342","CAS_id": "NA","SymMap_id": "SMIT01034","TCMID_id": "25515","TCMSP_id": "MOL002234","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-5-carboxymethyl-7-hydroxy-chromanone
{"Ingredient_id": "HBIN005995","Ingredient_name": "2-methyl-5-carboxymethyl-7-hydroxy-chromanone","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14212","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7,8-trimethoxy-2h-1-benzopyran-2-one
{"Ingredient_id": "HBIN012049","Ingredient_name": "6,7,8-trimethoxy-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21877","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,4s,5r,6s,7s,11s)-5-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6,7-triol
(4s)-4,8-dihydroxy-6-methoxy-4-methyl-3-methylidene-2-benzopyran-1-one
(10s)-5-hydroxy-7-oxo-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),5-triene-10-carboxylic acid
8-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carboxylic acid
(2r,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione
14-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
(1e,3r,5z)-1,6-dichloro-2-methylhepta-1,5-dien-3-yl acetate
6,8-dihydroxy-3-[(2r)-2-hydroxypropyl]isochromen-1-one
3-hydroxy-4-(2-methyl-5-oxooxolan-2-yl)benzoic acid
(3as,4r,5s,7ar)-4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
(2e,4e)-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid
7-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
5-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6,7-triol
(3z)-3-(chloromethylidene)-2h-1-benzoxepine-7-carboxylic acid
methyl (2e)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate
methyl 2-[(2r)-7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl]acetate
5-hydroxy-2-(hydroxymethyl)-7-methoxy-3-methylchromen-4-one
8-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
5-hydroxy-6-(hydroxymethyl)-7-methoxy-2-methylchromen-4-one
7-methoxy-11-methyl-3,5,12-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one
n-methyl[(1h-indol-3-ylmethyl)sulfanyl]carboimidothioic acid
C11H12N2S2 (236.04418719999998)
2-oxo-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-6-ium-6-olate
7-hydroxy-3-methoxy-2-oxochromene-6-carboxylic acid
methyl 3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate
1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),7,9,12,14-hexaene-2,11-dione
3-hydroxy-4-[(2s)-2-methyl-5-oxooxolan-2-yl]benzoic acid
(2s)-2-hydroxy-4-methoxy-4-oxobutyl (2e)-4-chlorobut-2-enoate
4-hydroxy-9-methoxy-2h-[1,3]dioxolo[4,5-g]chromen-6-one
1-{[1-(prop-1-ene-1-sulfinyl)propyl]disulfanyl}prop-1-ene
(1e)-1-{[(1s)-1-[(r)-(1e)-prop-1-ene-1-sulfinyl]propyl]disulfanyl}prop-1-ene
6,7-dihydroxy-3-[(2s)-2-hydroxypropyl]isochromen-1-one
3-(chloromethylidene)-2h-1-benzoxepine-7-carboxylic acid
1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione
1,5-dihydroxy-3-methoxy-8-oxo-6,7-dihydro-5h-naphthalene-2-carbaldehyde
(1s,4s,5r,6s,7r,9s,11s)-5-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6,9-triol
(3e)-3-(chloromethylidene)-2h-1-benzoxepine-7-carboxylic acid
methyl 2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate
3-[(3s)-3,4-dihydroxy-3-methylbut-1-yn-1-yl]-4-hydroxybenzoic acid
(1z)-1-{[(1s)-1-[(r)-(1e)-prop-1-ene-1-sulfinyl]propyl]disulfanyl}prop-1-ene
3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal
3-(3,4-dihydroxy-3-methylbut-1-yn-1-yl)-4-hydroxybenzoic acid
6,8-dihydroxy-7-methyl-1-oxoisochromene-3-carboxylic acid
5-hydroxy-7-oxo-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),5-triene-10-carboxylic acid
5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methylchromen-4-one
4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid
2-ethyl-5-hydroxy-7-methoxy-1-benzofuran-6-carboxylic acid
6-hydroxy-4-(hydroxymethyl)-7-methoxy-2-methylcyclohepta[b]furan-5-one
8-hydroxy-3-(hydroxymethyl)-6-methoxy-4-methylisochromen-1-one
3-hydroxy-2-methyl-7-(prop-1-en-1-yl)-2h,3h-pyrano[4,3-b]pyran-4,5-dione
(7s,8r)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
4,7,8-trihydroxy-1h,3h,6h,7h,8h-naphtho[2,3-c]furan-5-one
(4r)-4,6,8-trihydroxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one
8-hydroxy-3,5-dimethyl-4-(methylsulfanyl)chromen-2-one
n-(1h-indol-3-ylmethyl)methylsulfanylcarboimidothioic acid
C11H12N2S2 (236.04418719999998)