Exact Mass: 315.0929092
Exact Mass Matches: 315.0929092
Found 349 metabolites which its exact mass value is equals to given mass value 315.0929092,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Trispherine
Hippeastrine is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound. Hippeastrine is a natural product found in Pancratium trianthum, Pancratium canariense, and other organisms with data available.
Flusilazole
CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9550; ORIGINAL_PRECURSOR_SCAN_NO 9549 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9630; ORIGINAL_PRECURSOR_SCAN_NO 9627 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9444; ORIGINAL_PRECURSOR_SCAN_NO 9441 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9499; ORIGINAL_PRECURSOR_SCAN_NO 9497 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9537; ORIGINAL_PRECURSOR_SCAN_NO 9535 Highly potent broad-spectrum fungicide. Controls broad spectrum of diseases on economically important crops. Flusilazole is found in cereals and cereal products. Flusilazole is found in cereals and cereal products. Highly potent broad-spectrum fungicide. Controls broad spectrum of diseases on economically important crops. CONFIDENCE standard compound; INTERNAL_ID 4011 CONFIDENCE standard compound; INTERNAL_ID 2564 CONFIDENCE standard compound; INTERNAL_ID 8385 D016573 - Agrochemicals D010575 - Pesticides
Chlorprothixene
C18H18ClNS (315.08484180000005)
Chlorprothixene is only found in individuals that have used or taken this drug. It is a typical antipsychotic drug of the thioxanthene (tricyclic) class. Chlorprothixene exerts strong blocking effects by blocking the 5-HT2 D1, D2, D3, histamine H1, muscarinic and alpha1 adrenergic receptors. Chlorprothixene blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Chlorprothixene is a dopamine and histamine receptors antagonist with Kis of 18 nM, 2.96 nM, 4.56 nM, 9 nM and 3.75 nM for hD1, hD2, hD3, hD5 and hH1 receptors, respectively. Antipsychotic activity[1].
Rosinidin
An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 5, a methoxy group at position 7 and a 4-hydroxy-3-methoxyphenyl group at position 2.
Neosaxitoxin
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents Neosaxitoxin is produced by Protogonyaulax and found in shellfis D009676 - Noxae > D011042 - Poisons > D008978 - Mollusk Venoms D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D011042 - Poisons > D014688 - Venoms D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Oxfendazole
C15H13N3O3S (315.06775880000004)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3672; ORIGINAL_PRECURSOR_SCAN_NO 3670 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3663; ORIGINAL_PRECURSOR_SCAN_NO 3660 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3677; ORIGINAL_PRECURSOR_SCAN_NO 3673 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3666; ORIGINAL_PRECURSOR_SCAN_NO 3662 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3739; ORIGINAL_PRECURSOR_SCAN_NO 3736 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3676; ORIGINAL_PRECURSOR_SCAN_NO 3674 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7569; ORIGINAL_PRECURSOR_SCAN_NO 7565 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7593; ORIGINAL_PRECURSOR_SCAN_NO 7591 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7621; ORIGINAL_PRECURSOR_SCAN_NO 7619 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7615; ORIGINAL_PRECURSOR_SCAN_NO 7613 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7596; ORIGINAL_PRECURSOR_SCAN_NO 7593 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7629; ORIGINAL_PRECURSOR_SCAN_NO 7627 CONFIDENCE standard compound; INTERNAL_ID 1165 CONFIDENCE standard compound; INTERNAL_ID 1065
Oxfendazole
C15H13N3O3S (315.06775880000004)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Anthelmintic, used in cattle, sheep and horse
Avenanthramide C
Avenanthramide c is a member of the class of compounds known as avenanthramides. Avenanthramides are a group of phenolic alkaloids consisting of conjugate of three phenylpropanoids (ferulic, caffeic, or p-coumaric acid) and anthranilic acid. Avenanthramide c is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Avenanthramide c can be found in cereals and cereal products, which makes avenanthramide c a potential biomarker for the consumption of this food product. N-(3,4-Dihydroxycinnamoyl)-2-amino-5-hydroxybenzoic acid is found in cereals and cereal products. N-(3,4-Dihydroxycinnamoyl)-2-amino-5-hydroxybenzoic acid is isolated from oats (Avena sativa).
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
(1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is found in root vegetables. (1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is an alkaloid from fermented radish root
Citpressine II
Citpressine II is found in citrus. Citpressine II is an alkaloid from the root of bark of Citrus depressa (Shekwasha mandarin
N'-Hydroxysaxitoxin
N-Hydroxysaxitoxin is isolated from the crab Zosimus aeneus. Isolated from the crab Zosimus aeneus.
3-(3,4-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enamide
4-Nitrophenyl beta-D-glucopyranosiduronic acid
6-Amino-9-benzyl-2-(2-methoxyethoxy)-9H-purin-8-ol
4-Hydroxyfenbendazole
C15H13N3O3S (315.06775880000004)
Di-deacetyl adrogolide
C18H21NO2S (315.12929260000004)
N-(3-Chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
Antramycin
N-(5-Fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamide
C17H18FN3S (315.12054000000006)
N-(3',4'-Dihydroxycinnamoyl)-5-hydroxyanthranilic acid
Phosphonate analog
C10H14N5O5P (315.07325240000006)
TrkA Inhibitor
C15H13N3O3S (315.06775880000004)
Avenanthramide K
Avenanthramide k is a member of the class of compounds known as avenanthramides. Avenanthramides are a group of phenolic alkaloids consisting of conjugate of three phenylpropanoids (ferulic, caffeic, or p-coumaric acid) and anthranilic acid. Avenanthramide k is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Avenanthramide k can be found in oat, which makes avenanthramide k a potential biomarker for the consumption of this food product.
3,9-(2-Imino-1-methyl-4-imidazolidinone-5-yl)isopropenylpurine-6,8-dione
C13H13N7O3 (315.10798280000006)
AG-1478
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
Alachlor ESA
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of alachlor. CONFIDENCE standard compound; EAWAG_UCHEM_ID 99
Acetochlor esa
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by an (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2. CONFIDENCE standard compound; EAWAG_UCHEM_ID 103
N1-(2-Cyanoethyl)-N1-(3-pyridylmethyl)-4-methyl-1-benzenesulfonamide
Nicosulfuron-TP UCSN
C10H13N5O5S (315.0637368000001)
CONFIDENCE standard compound; UCHEM_ID 4212
6-[(Acetyloxy)methyl]-5,6-dihydro-7-hydroxy-2,2-dimethyl-2H-pyrano[3,2-c]quinolin-5-one
5-(9H-beta-carbolin-1-yl)-5-hydroxy-5,6-dihydro-[2]pyrindin-7-one|Pauridianthinin|Pauridianthinine
ANTHRAMYCIN
A member of the class of pyrrolobenzodiazepines that is (11aS)-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted at positions 2, 5, 8, 9 and 11R by a (1E)-3-amino-3-oxoprop-1-en-1-yl, oxo, methyl, hydroxy and hydroxy groups, respectively. It is a natural product isolated from Streptomyces refuineus subsp. thermotolerans. D000970 - Antineoplastic Agents
(7E)-N-(3,4,5-trihydroxyl)phenylethyl-4-hydroxyl-cinnamamide
(5,8-dihydro-7-methoxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl (2Z)-2-methyl-2-butenoate|Renieron|Renierone
Flusilazole
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 97
chlorprothixene
C18H18ClNS (315.08484180000005)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Chlorprothixene is a dopamine and histamine receptors antagonist with Kis of 18 nM, 2.96 nM, 4.56 nM, 9 nM and 3.75 nM for hD1, hD2, hD3, hD5 and hH1 receptors, respectively. Antipsychotic activity[1].
Hippeastrine
Hippeastrine is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound. Hippeastrine is a natural product found in Pancratium trianthum, Pancratium canariense, and other organisms with data available. An indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids
p-[N-Propyl-N-(2-carboxyethyl)sulfamoyl]benzoic acid
C13H17NO6S (315.07765420000004)
1-(2-sulfanylidenepyrrolidin-3-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
Sulfamide,N-(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)-N,N-dimethyl-
C12H17N3O3S2 (315.07112920000003)
protizinic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoic acid
[4-(4-fluoro-phenyl)-piperazin-1-yl]-pyridin-4-yl-acetic acid
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanone
2-quinolin-2-yl-1-[3-(trifluoromethyl)phenyl]ethanone
Methyl 3-bromo-4-[3-(dimethylamino)propoxy]benzoate
(R)-3-[((tert-Butoxy)carbonyl)amino]-4-(2,5-difluorophenyl)butanoic acid
2-(3-BROMO-PHENYL)-N-(2,2-DIMETHOXY-ETHYL)-N-METHYL-ACETAMIDE
1-ETHANONE, 2-CHLORO-1-[2,5-DIMETHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROL-3-YL]-
2-(2-ISOPROPYLAMINO-THIAZOL-4-YL)-7-METHOXY-QUINOLIN-4-OL
3-CHLORO-3-(CYCLOPROPYLCARBAMOYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C17H14ClNO3 (315.06621640000003)
[4-(4-fluoro-phenyl)-piperazin-1-yl]-pyridin-3-yl-acetic acid
[4-(pyridin-3-ylmethyl)morpholin-2-yl]methanamine
C11H20Cl3N3O (315.06718800000004)
BENZYL 2,4-DIOXO-3,4,5,6,8,9-HEXAHYDRO-1H-PYRIMIDO[4,5-D]AZEPINE-7(2H)-CARBOXYLATE
1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
tert-Butyl (S)-2-(4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
N-(3-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
C19H22ClNO (315.13898320000004)
N-(2-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
C19H22ClNO (315.13898320000004)
5,6,7,8-TETRAHYDRO-6-(PHENYLMETHYL)-4H-THIENO[2,3-D]AZEPINE-2-CARBOXYLIC ACID, ETHYL ESTER
C18H21NO2S (315.12929260000004)
5-FLUORO-2,3-DIHYDRO-BENZOFURAN-3-YLAMINEHYDROCHLORIDE
7-Anilino-4-hydroxy-2-naphthalenesulfonic acid
C16H13NO4S (315.05652580000003)
(5-HYDROXY-6-METHYLPYRIDINE-3,4-DIYL)DIMETHANOL 2-OXOPENTANEDIOATE
Fotemustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
(R)-(-)-n-(3,5-dinitrobenzoyl)-alpha-phenylethylamine
METHYL (2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(2,5-DIFLUOROPHENYL)PROPANOATE
3-[2-(4-Chlorophenoxy)phenyl]-1,5-dihydro-4-hydroxy-1-methyl-2H-pyrrol-2-one
C17H14ClNO3 (315.06621640000003)
(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4-difluorophenyl)butanoic acid
3-((tert-butoxycarbonyl)amino)-4-(2,5-difluorophenyl)butanoic acid
3-[Bis(2-thienyl)methylene]octahydro-2H-quinolizine
BOC-(R)-3-AMINO-4-(3,4-DIFLUORO-PHENYL)-BUTYRIC ACID
N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANESULFONAMIDE
C13H22BNO5S (315.13116720000005)
2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanamine(SALTDATA: 3HCl)
C10H20Cl3N5 (315.07842100000005)
7-Anilino-1-naphthol-3-sulfonic Acid
C16H13NO4S (315.05652580000003)
ETHYL 2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
2-(5-Chloro-2H-benzotriazol-2-yl)-4-methyl-6-(2-methyl-2-propanyl )phenol
6-[Methyl(propyl)amino]-5,6,7,8-tetrahydro-2,3-naphthalenediol hy drobromide (1:1)
3-[(2-chlorophenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
TERT-BUTYL 3-(2,2-DIMETHYL-4,6-DIOXO-1,3-DIOXAN-5-YL)-3-OXOPROPYLCARBAMATE
C14H21NO7 (315.13179560000003)
ethyl 4-chloro-5-methyl-7-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylate
2-CYANO-2-(3-ETHYL-4-OXO-5-((PHENYLAMINO)METHYLENE)THIAZOLIDIN-2-YLIDENE)ACETIC ACID
C15H13N3O3S (315.06775880000004)
3-Nitro-4-[[(tetrahydropyran-4-yl)methyl]amino]benzenesulfonamide
C12H17N3O5S (315.08888720000004)
N-(p-Toluenesulfonyl)indole-3-boronic acid
C15H14BNO4S (315.07365540000006)
disodium,1-(N-benzylcarbamimidoyl)-2-phosphonatoguanidine,hydrate
5-METHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRAZOL-3-YL 2-CHLORONICOTINATE
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-[(3-methylphenyl)sulfonyl]-
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]tetr ahydropyran-3,4,5-triol
(4-Amino-5-benzyl-pyrimidin-2-ylsulfanyl)-acetic acid allyl ester
1-(benzenesulfonyl)indole-2-carbohydrazide
C15H13N3O3S (315.06775880000004)
4-Chloro-2-(piperazin-1-yl)-6-(trifluoromethyl)quinoline
2-(4-benzoylphenyl)-2-(4-fluorophenyl)acetonitrile
5-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-BENZO[1,3]DIOXOLE
C16H13NO4S (315.05652580000003)
(S)-(+)-CROTONYLCYCLOPENTANEDIENYLIRONCARBONYLTRIPHENYLPHOSPHINECOMPLEX
b-Alanine,N-(2-carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-
C13H17NO6S (315.07765420000004)
ETHYL 2-(2-[3-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-4-YL)ACETATE
3-[4-[(4-METHYLPHENYL)THIO]-3-NITROPHENYL]ACRYLIC ACID
C16H13NO4S (315.05652580000003)
3-(4-FLUORO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C14H18FNO4S (315.09405200000003)
2-[4-(2-Nitrobenzenesulfonyl)piperazin-1-yl]ethanol
C12H17N3O5S (315.08888720000004)
(3-hydroxy-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
2-(2-CHLORO-ACETYLAMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
Tolmetin sodium dihydrate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-[2-[(4-METHYLPHENYL)THIO]-5-NITROPHENYL]ACRYLIC ACID
C16H13NO4S (315.05652580000003)
tert-Butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-1-carboxylate
p-Nitrophenyl-beta-D-glucuronide
(E)-1-TERT-BUTYL4-ETHYL2,3,6,7-TETRAHYDROAZEPINE-1,4-DICARBOXYLATE
Antramycin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
Clobenzepam
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
[4-(pyridin-2-ylmethyl)morpholin-2-yl]methanamine
C11H20Cl3N3O (315.06718800000004)
{[4-Benzyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
C15H13N3O3S (315.06775880000004)
3-amino-4-(4-chloro-3,5-dimethylphenoxy)benzotrifluoride
2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
tert-butyl 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoate
3-(5-chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2,4-dione
C17H14ClNO3 (315.06621640000003)
N-(4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
C19H22ClNO (315.13898320000004)
Doxepin hydrochloride
C19H22ClNO (315.13898320000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D000890 - Anti-Infective Agents > D000935 - Antifungal Agents Doxepin hydrochloride is an orally active tricyclic antidepressant agent. Doxepin hydrochloride is a potent and selective histamine receptor H1 antagonist. Doxepin hydrochloride is also a potent CYP450 inhibitor and significantly inhibits CYP450 2C19 and 1A2[1][2]. Doxepin inhibits reuptake of serotonin and norepinephrine as a tricyclic antidepressant[3].. Doxepin has therapeutic effects in atopic dermatitis，chronic urticarial，can improve cognitive processes， protect central nervous system[4].. Doxepin has also been proposed as a protective factor against oxidative stress[5]..
Boc-(S)-3-amino-4-(3,4-difluoro-phenyl)-butyric acid
Ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
Cidofovir Dihydrate
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
1-(9,10-DIHYDROANTHRACEN-9-YL)-3-(DIMETHYLAMINO)PROPAN-1-ONE HYDROCHLORIDE
C19H22ClNO (315.13898320000004)
4,5,7-TRI-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-LYXO-HEPT-2-ENONAMIDE
1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
4-(4-fluorophenyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
C16H14FN3OS (315.08415660000003)
Benzenamine,N-[(4-methoxyphenyl)methylene]-4-(2-phenyldiazenyl)-
AZD-4635
AZD4635 (HTL1071) is a potent, selective and orally active adenosine A2A receptor (A2AR) antagonist. AZD4635 binds to human A2AR with a Ki of 1.7 nM and shows >30-fold selectivity over other adenosine receptors[1].
3-Fluoro-4-propyl-[1,1:4,1-terphenyl]-4-carbonitrile
3-METHOXY-4-[3-(1-PYRROLIDINYL)PROPOXY]-BENZOIC ACID HYDROCHLORIDE
N-((2-methyl-5-nitrophenyl)carbamothioyl)benzamide
C15H13N3O3S (315.06775880000004)
Carbamic acid, [(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester (9CI)
(R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
1-[(3,4-dimethoxyphenyl)sulfonyl]proline
C13H17NO6S (315.07765420000004)
Ramosetron Hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Ramosetron Hydrochloride(YM060 Hydrochloride) is a serotonin 5-HT3 receptor antagonist for the treatment of nausea and vomiting. Target: 5-HT3 Receptor Ramosetron hydrochloride selectively blocks serotonin receptors (5-HT3). Serotonin plays a vital role in vomiting, serotonin-induced bradycardic reflex and peristalsis. The pharmacological action of Ramosetron hydrochloride is sustained and potent.
4-Bromo-N,N-Bis(Trimethylsilyl)Aniline
C12H22BrNSi2 (315.04740720000007)
2-(3-chloro-2-oxo-1,3-dihydroindol-4-yl)ethyl benzoate
C17H14ClNO3 (315.06621640000003)
MPC 6827 hydrochloride
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
1-Methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate
2,5-Dideoxy-adenosine 3-monophosphate
C10H14N5O5P (315.07325240000006)
5H-Benzo(4,5)cyclohepta(1,2-b)naphthalene-5,12-imine-6,11,13(12H)-trione, 14-methyl-
(3E)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
C18H18ClNS (315.08484180000005)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
N-(5-Fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamide
C17H18FN3S (315.12054000000006)
5-[[2,5-Dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene]-2-thioxo-4-thiazolidinone
N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
1-(4-Methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone
C17H21N3OS (315.14052560000005)
3H-Pyrazolo[3,4-b]pyridin-3-one, 2,7-dihydro-4,6-dimethyl-2,7-diphenyl-
9-phenyl-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one
1-[Oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester
N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1-pyrazolyl)-1,2,4,5-tetrazin-3-amine
2-{[({1-[2-(4-Methoxyphenyl)cyclopropyl]ethylidene}amino)oxy]carbonyl}thiophene
3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester
C16H13NO4S (315.05652580000003)
N,N-Bis(trimethylsilyl)-3-bromoaniline
C12H22BrNSi2 (315.04740720000007)
diethyl [(1S)-1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl]phosphonate
D000970 - Antineoplastic Agents
(3r)-3-Ethyl-N-[(4-Methylphenyl)sulfonyl]-L-Aspartic Acid
C13H17NO6S (315.07765420000004)
2-Methylcarbamoyl-3-(4-phosphonooxy-phenyl)-cyclopropanecarboxylic acid
C12H14NO7P (315.05078640000005)
4,6-Dideoxy-4-{[(1s,5r,6s)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-d-xylo-hex-5-enopyranose
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
(1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is found in root vegetables. (1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is an alkaloid from fermented radish root Alkaloid from fermented radish roots. (1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is found in root vegetables.
(3R,9R,10R)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-olate
3-O-methyltricetin(1-)
The conjugate base of 3-O-methyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3.
3,4,5-Trihydroxy-3-methoxyflavon-7-olate
The conjugate base of 3,4,5,7-tetrahydroxy-3-methoxyflavone arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
5-Hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
N-acetyl-L-glutaminyl-L-glutamine
C12H19N4O6- (315.13045339999996)
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-oxochromen-3-olate
(3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-olate
3-N-[(2-chloro-6-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
2,3,4,5-Tetrafluoro-6-(3-methoxyanilino)benzoic acid
N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide
C15H13N3O3S (315.06775880000004)
[4-[(2-Fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione
C18H18FNOS (315.10930700000006)
4-(3-methylphenyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
4-(4-chlorophenyl)-3-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
8-Chloro-5-isobutyl-1,2,3,4-tetrahydro-7-oxa-6,9,11-triaza-benzo[c]fluorene
2-amino-7-methyl-4-(5-nitro-2-furanyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
C14H9N3O6 (315.04913339999996)
N1-neopentyl-2-[1-(3,5-difluoro-2-hydroxyphenyl)ethylidene]hydrazine-1-carbothioamide
C14H19F2N3OS (315.12168280000003)
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
C15H13N3O3S (315.06775880000004)
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
4-(3-methylphenyl)-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
2-(2,3,4-Trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
N-[(3-methoxybenzoyl)oxy]-4-nitrobenzenecarboximidamide
2-Ethoxy-3-pyridinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester
3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
2-(cinnamoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
1-(4-Methyl-3-nitrophenyl)-3-[(4-methylphenyl)methyl]thiourea
5-[(4-Methoxy-2-methylanilino)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
N-(1-ethyl-5-benzimidazolyl)-4-methylbenzenesulfonamide
3-[3-(2-Methoxyphenoxy)propyl]-1,3-benzothiazol-2-one
5-Nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester
C14H9N3O6 (315.04913339999996)
2-[(3-Cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)thio]acetamide
N-(3-methoxypropyl)-2-(4-oxochromeno[4,3-c]pyrazol-1-yl)acetamide
(4Z)-5-methyl-4-[(1-methylindol-3-yl)methylidene]-2-phenylpyrazol-3-one
5,6-Dimethyl-1-(4-methylphenyl)sulfonyl-2-benzimidazolamine
4-(phenylmethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
4-hydroxy-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
C15H13N3O3S (315.06775880000004)
5-(4-fluorophenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b]thiazol-4-ium-5-ol
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
2-thiophen-2-ylethyl (Z)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
C16H13NO4S (315.05652580000003)
(2S)-2-amino-N-[(E)-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]-3-phenylpropanehydrazide (non-preferred name)
N-[(E)-(2,5-Dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
6-[4-(2-chlorophenyl)piperazin-1-yl]-7H-purin-1-ium
N-hydroxy-1,3-dimethyl-3-nitrospiro[cyclohepta[d]imidazol-3-ium-2,4-cyclohexa-2,5-diene]-1-imine oxide
4-[3-Amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide
[(2R)-2-(4-chlorophenyl)cyclopropyl]-[4-(2-hydroxyethylamino)phenyl]methanone
2-Amino-3-[hydroxy-(2-hydroxy-3-propanoyloxypropoxy)phosphoryl]oxypropanoic acid
Neosaxitoxin
A pyrrolopurine that is saxitoxin carrying a hydroxy substituent on the nitrogen atom at position 5. It is a sodium channel blocker that is undergoing clinical trials as a prolonged-duration local anesthetic.
(1R*,3R*,3S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
hydroxyfenbendazole
C15H13N3O3S (315.06775880000004)
A member of the class of benzimidazoles that is fenbendazole in which the hydrogen at position 4 on the phenyl ring has been replaced by a hydroxy group.
4-nitrophenyl beta-D-glucuronide
A beta-D-glucosiduronic acid having a 4-nitrophenyl substituent at the anomeric position.
isorhamnetin(1-)
A flavonoid oxoanion that is the conjugate base of isorhamnetin, arising from the deprotonation of the 7-hydroxy group; major species at pH 7.3.
2-TEDC
C16H13NO4S (315.05652580000003)
2-TEDC is a potent inhibitor of 5-, 12-, and 15-lipoxygenase with IC50 values of 0.09 μM, 0.013 μM and 0.5 μM, respectively. 2-TEDC can be used for the research of atheroscrelosi[1].
APX-115
APX-115 (Ewha-18278) is a potent, orally active pan NADPH oxidase (Nox) inhibitor with Ki values of 1.08 μM, 0.57 μM, and 0.63 μM for Nox1, Nox2 and Nox4, respectively. APX-115 effectively prevents kidney injury[1].
(3as,4r,10as)-6-amino-10,10-dihydroxy-4-[(c-hydroxycarbonimidoyloxy)methyl]-2-imino-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate
9-{3h-pyrrolo[2,3-c]quinolin-4-ylmethyl}purin-6-amine
6-{[(2s)-3,3-dimethyloxiran-2-yl]methoxy}-4-methoxyfuro[2,3-b]quinolin-7-ol
(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (2z)-2-methylbut-2-enoate
(10r)-2-hydroxy-10-{[(4z)-5-hydroxy-2-imino-3-methylimidazol-4-ylidene]methyl}-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),6-trien-5-one
C13H13N7O3 (315.10798280000006)
(1r,13r,16r,18r)-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-11-one
2-[(1r)-1-hydroxyethyl]-n-[2-(1h-indol-3-yl)ethyl]-1,3-thiazole-4-carboximidic acid
(10s)-2-hydroxy-10-{[(4z)-5-hydroxy-2-imino-3-methylimidazol-4-ylidene]methyl}-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),6-trien-5-one
C13H13N7O3 (315.10798280000006)