Exact Mass: 321.0896
Exact Mass Matches: 321.0896
Found 441 metabolites which its exact mass value is equals to given mass value 321.0896,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
S-Methyl GSH
S-Methylglutathione is an S-substitued?glutathione and a stronger nucleophile than GSH[1]. S-Methylglutathione has inhibitory effect on glyoxalase 1[2].
L-L-Homoglutathione
L-l-homoglutathione is a member of the class of compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. L-l-homoglutathione is practically insoluble (in water) and a moderately acidic compound (based on its pKa). L-l-homoglutathione can be found in pulses, which makes L-l-homoglutathione a potential biomarker for the consumption of this food product. L-L-Homoglutathione is found in pulses. L-L-Homoglutathione occurs in seeds of various legume
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin is a pterin derivative. Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring with Several tautomers; the pyrimidine ring has a carbonyl oxygen and an amino group. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring. Pterins were first discovered in the pigments of butterfly wings and perform many roles in coloration in the biological world. Pterins also function as cofactors in enzyme catalysis (Wikipedia). Some pterin derivatives (biopterin, 6-formylpterin, 6-carboxypterin) accumulate in the skin of patients affected by vitiligo, a depigmentation disorder, where the protection against UV radiation fails due to the lack of melanin. Pterins participate in biologically important photosensitization processes; for example, pterins act as sensitizers in photochemical reactions that induce DNA damage4,5 and are able to generate singlet molecular oxygen6 and other reactive oxygen species (PMID: 19199487). 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin is a pterin derivative. Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring with Several tautomers; the pyrimidine ring has a carbonyl oxygen and an amino group. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring. Pterins were first discovered in the pigments of butterfly wings and perform many roles in coloration in the biological world. Pterins also function as cofactors in enzyme catalysis .
Acronine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product An alkaloid antineoplastic agent isolated from Acronychia baueri. D000970 - Antineoplastic Agents C1907 - Drug, Natural Product Same as: D02378
Beta-Citryl-L-glutamic acid
beta-Citryl-L-glutamic acid (beta-CG) is a derivative of glutamic acid. beta-CG which is known to occur in the brain, have been isolated from human urine. [HMDB] beta-Citryl-L-glutamic acid (beta-CG) is a derivative of glutamic acid. beta-CG which is known to occur in the brain, have been isolated from human urine.
7-Demethylmitomycin B; 6-Demethylmitomycin B
Pyriproxyfen
CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10357; ORIGINAL_PRECURSOR_SCAN_NO 10352 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10314; ORIGINAL_PRECURSOR_SCAN_NO 10312 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10325; ORIGINAL_PRECURSOR_SCAN_NO 10324 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10287; ORIGINAL_PRECURSOR_SCAN_NO 10284 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10340; ORIGINAL_PRECURSOR_SCAN_NO 10338 CONFIDENCE standard compound; INTERNAL_ID 235; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10362; ORIGINAL_PRECURSOR_SCAN_NO 10360 CONFIDENCE standard compound; INTERNAL_ID 2633 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Clopidogrel
Clopidogrel is a potent oral antiplatelet agent often used in the treatment of coronary artery disease, peripheral vascular disease, and cerebrovascular disease. It is marketed by Bristol-Myers Squibb and Sanofi-Aventis under the trade name Plavix. -- Wikipedia; Clopidogrel is a potent oral antiplatelet agent often used in the treatment of coronary artery disease, peripheral vascular disease, and cerebrovascular disease. It is marketed by Bristol-Myers Squibb and Sanofi-Aventis under the trade name Plavix. It is also marketed in the generic form by Apotex, a large Canadian generic pharmaceutical company, though an injunction to withhold further shipments of their form is in effect while patent issues are dealt with. In 2005 it was the worlds second highest selling pharmaceutical with sales of US$5.9 billion. [HMDB] Clopidogrel is a potent oral antiplatelet agent often used in the treatment of coronary artery disease, peripheral vascular disease, and cerebrovascular disease. It is marketed by Bristol-Myers Squibb and Sanofi-Aventis under the trade name Plavix. -- Wikipedia; Clopidogrel is a potent oral antiplatelet agent often used in the treatment of coronary artery disease, peripheral vascular disease, and cerebrovascular disease. It is marketed by Bristol-Myers Squibb and Sanofi-Aventis under the trade name Plavix. It is also marketed in the generic form by Apotex, a large Canadian generic pharmaceutical company, though an injunction to withhold further shipments of their form is in effect while patent issues are dealt with. In 2005 it was the worlds second highest selling pharmaceutical with sales of US$5.9 billion. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Clopidogrel is an orally active platelet inhibitor that targets P2Y12 receptor. Clopidogrel is used to inhibit blood clots in coronary artery disease, peripheral vascular disease, and cerebrovascular disease.
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone is found in herbs and spices. 2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone is an alkaloid from Ruta graveolens (rue
Cepharadione B
Cepharadione B is found in herbs and spices. Cepharadione B is an alkaloid from the woody roots of Piper auritum (Veracruz pepper
S-Glutaryldihydrolipoamide
S-Glutaryldihydrolipoamide is involved in the lysine degradation pathway. S-Glutaryldihydrolipoamide can be irreversibly created from 2-Oxoadipate by 2-oxoglutarate dehydrogenase E1 component [EC:1.2.4.2]. S-Glutaryldihydrolipoamide can be reversibly created from Glutaryl-CoA by 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide. succinyltransferase) [EC:2.3.1.61]. S-Glutaryldihydrolipoamide is involved in the lysine degradation pathway. S-Glutaryldihydrolipoamide can be irreversibly created from 2-Oxoadipate by 2-oxoglutarate dehydrogenase E1 component [EC:1.2.4.2]. S-Glutaryldihydrolipoamide can be reversibly created from Glutaryl-CoA by 2-oxoglutarate dehydrogenase E2 component (dihydrolipoamide
Niazirinin
Niazirinin is a nitrile glycoside that has been isolated from the leaves of Moringa oleifera (horseradish tree). Niazirin is found in brassicas. Constituent of the leaves of the horseradish tree (Moringa oleifera, Moringaceae). Niazirinin is found in brassicas.
(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine
(2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is an acylcarnitine. More specifically, it is an (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2R,3R,4E)-2,3-dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2-Amino-5-((1-((carboxymethyl)amino)-3-(methylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid
4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[CD]azulene-1-thione
Carboquone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Diclofensine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Vipadenant
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester
indole-3-acetyl-phenylalanine
Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.
Menisporphine
Menisporphine is a natural product found in Menispermum dauricum with data available.
S-Methylglutathione
S-Methylglutathione is an S-substitued?glutathione and a stronger nucleophile than GSH[1]. S-Methylglutathione has inhibitory effect on glyoxalase 1[2].
dimethenamide ESA
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. CONFIDENCE standard compound; EAWAG_UCHEM_ID 260 CONFIDENCE standard compound; INTERNAL_ID 2041
Pyriproxyfen
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Dehydrohistidyl-tryptophanyl-diketopiperazine
CONFIDENCE Penicillium bissettii
6-Hydroxyquinoline glucuronide|O1-[6]Chinolyl-beta-D-glucopyranuronsaeure|O1-[6]quinolyl-beta-D-glucopyranuronic acid
O1-[7]Chinolyl-beta-D-glucopyranuronsaeure|O1-[7]quinolyl-beta-D-glucopyranuronic acid
7-methyl-6,7-dihydro-5H-bis([1,3]dioxolo[4,5:4,5]benzo)[1,2,3-de;1,2-g]quinoline|Aporphin|Dehydroneolitsine
3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid
(E)-L-alpha-glutamyl-N-[2-(4-hydroxyphenyl)ethenyl]glycinamide|(S)-(E)-form-Glutamylglycyl-4-hydroxystyrylamine|L-Glu-Gly-4-hydroxystyrylamine
O1-[5]Chinolyl-beta-D-glucopyranuronsaeure|O1-[5]quinolyl-beta-D-glucopyranuronic acid
O1-[3]Chinolyl-beta-D-glucopyranuronsaeure|O1-[3]quinolyl-beta-D-glucopyranuronic acid
7-oxohernangerine
An oxoaporphine alkaloid that is 7H-dibenzo[de,g]quinolin-7-one substituted by a methylenedioxy group across positions 1 and 2, a methoxy group at position 11 and a hydroxy group at position 10. Isolated from Hernandia nymphaeifolia and Lindera chunii, it exhibits activity against HIV-1 integrase.
Clopidogrel
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS INTERNAL_ID 2284; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2284 CONFIDENCE standard compound; INTERNAL_ID 8531 Clopidogrel is an orally active platelet inhibitor that targets P2Y12 receptor. Clopidogrel is used to inhibit blood clots in coronary artery disease, peripheral vascular disease, and cerebrovascular disease.
1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)-
L-L-Homoglutathione
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
Cepharadione B
2-amino-3-nitro-6-phenyl-4-thiophen-2-ylbenzonitrile
4-[(4-Amino-5-methoxy-2-methylphenyl)azo]benzenesulfonic acid
Methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate
diethyl 5-chloro-8-methylquinoline-2,3-dicarboxylate
diethyl 6-chloro-8-methylquinoline-2,3-dicarboxylate
Methyl 3-(2,6-difluorophenylcarbamoyl)-4-Methoxybenzoate
Cinnamyl-3,4-dihydroxy-α-cyanocinnamate
Cinnamyl-3,4-dihydroxy-α-cyanocinnamate (CDC) is a potent 12/15-Lipoxygenases (LO) inhibitor. Cinnamyl-3,4-dihydroxy-α-cyanocinnamate has the potential for the research of type 1 diabetes mellitus[1].
DIMETHYL 2-(2-NITRO-4-(TRIFLUOROMETHYL)PHENYL)MALONATE
[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] acetate
N-BOC-BETA-ALANINE-BETA-4-METHOXYPHENYL-N-CARBOXYANHYDRIDE
DIETHYL 6-ACETYL-5,6-DIHYDROPYRIDO[3,4-B]PYRAZINE-7,7(8H)-DICARBOXYLATE
tert-butyl 3-(5-bromopentoxy)azetidine-1-carboxylate
2-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride
3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride
hydromorphone hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
BENZYL 2-BENZYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
4-chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
(dimethyl)[10H-pyrido[3,2-b][1,4]benzothiazine-10-propyl]ammonium chloride
(9H-FLUOREN-9-YL)METHYL-3-OXOPIPERIDINE-1-CARBOXYLATE
2-((2-(TRIFLUOROMETHYL)BENZYL)OXY)ISOINDOLINE-1,3-DIONE
(4-(N-(4-METHOXYBENZYL)SULFAMOYL)PHENYL)BORONIC ACID
4-Imidazolidinone,5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxo-
2-chloro-7-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoline
(E)-1-(3-(2-(7-CHLOROQUINOLIN-2-YL)VINYL)PHENYL)PROP-2-EN-1-OL
Benzeneethanol,4-nitro-, 1-(4-methylbenzenesulfonate)
Methyl 4-(4-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylate
(3-(N-(4-METHOXYBENZYL)SULFAMOYL)PHENYL)BORONIC ACID
1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-NAPHTHALENE
Benzoic acid,5-[2-[4-(aminosulfonyl)phenyl]diazenyl]-2-hydroxy-
2-chloro-8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoline
tert-butyl 2-amino-3-(4-methoxy-3,4-dioxobutanoyl)benzoate
1H-Benzo[a]cyclopenta[f]quinolizinium,2,3,3a,5,6,11,12,12a-octahydro-8-hydroxy-, bromide (1:1)
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2R)-hydroxy(phenyl)ethanoate
(Z)-1-Phenyl-2-(phthalimidomethyl)cyclopropanecarboxylic acid
N,N-DIMETHYL-N-(1-HEXYL)-N-(2-[METHACRYLOYL]ETHYL)AMMONIUM BROMIDE
3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
1-Benzyl-3-(2,2,2-trifluoro-acetyl)piperidin-4-one HCl
3-(4-OXO-3,4-DIHYDROPYRIDO[3,2:4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENYL ACETATE
2-(3-Bromo-2-oxopropyl)-3-methoxy-1-piperidinecarboxylic acid ethyl ester
4,5-DIMETHOXY-2-(2-THIOPHEN-2-YL-ACETYLAMINO)-BENZOIC ACID
METHYL 5-AMINO-2-(4-NITRO-1-OXOISOINDOLIN-2-YL)-5-OXOPENTANOATE
ETHYL 8-ALLYL-5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
Isothipendyl hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-Chloro-6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline
Hydrazinecarbothioamide, 2-[(2-hydroxyphenyl)methylene]-N-1-naphthalenyl-
N-[(2-HYDROXY-NAPHTHALEN-1-YL)-(4-METHOXY-PHENYL)-METHYL]-ACETAMIDE
9H-fluoren-9-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone
N-cyclopentyl-5-(2,4-dichlorophenyl)-2-methylpyrimidin-4-amine
Naphtho[1,2-d]thiazolium,2-methyl-1-(3-sulfopropyl)-, inner salt
Methyl (2S)-(2-chlorophenyl)(4,7-dihydrothieno[2,3-c]pyridin-6(5H)-yl)acetate
1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
4-methoxy-3-(3-morpholinopropoxy)-2-nitrobenzonitrile
1-([4-((2S)PYRROLIDIN-2-YL)PHENYL]SULFONYL)-4-CHLOROBENZENE
Methyl 2-(Boc-amino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetate
7-chloro-3-(2-methylquinolin-6-yl)quinazolin-4-one
A-BROMO-1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-PIPERIDINEACETIC ACID
Benzenesulfonamide,4-chloro-N-[3-(dimethylamino)propyl]-3-nitro-
2-TERT-BUTOXYCARBONYLAMINO-5-TRIFLUOROMETHOXY-BENZOIC ACID
4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[CD]azulene-1-thione
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
Ampreloxetine
C78272 - Agent Affecting Nervous System Ampreloxetine (TD-9855) is a potent and orally active norepinephrine (NE) and serotonin 5-HT inhibitor. Ampreloxetine has the potential for the research of neurogenic orthostatic hypotension[1][2].
Tivirapine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
9-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
(Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-phenylallylidene)benzofuran-3(2H)-one
2-({3-[(4-Methylbenzyl)oxy]-2-thienyl}carbonyl)-1-hydrazinecarbothioamide
N-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]furan-2-carboxamide
Ethyl 4-amino-2-[(3-nitropyridin-2-yl)sulfanyl]pyrimidine-5-carboxylate
1-[(1,3-Benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide
(Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
2-[(2-Oxo-2-piperidin-1-ylethyl)thio]-6-(trifluoromethyl)pyrimidin-4(1H)-one
3-({2-[(2-Amino-6-methylpyrimidin-4-YL)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one
Vipadenant
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
carboquone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
6-Chloro-7-(2-morpholin-4-yl-ethylamino)quinoline-5,8-dione
indole-3-acetyl-phenylalanine
Indole-3-acetyl-phenylalanine is also known as iaa-phe. Indole-3-acetyl-phenylalanine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-phenylalanine can be found in a number of food items such as blackcurrant, apricot, common grape, and roselle, which makes indole-3-acetyl-phenylalanine a potential biomarker for the consumption of these food products.
N-[(R)-pantothenoyl]-L-cysteinate
Conjugate base of N-[(R)-pantothenoyl]-L-cysteine.
2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose(1-)
5-Methyl-9-(3-methylbut-2-enyl)-7-oxophenazine-1-carboxylate
(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradecane-5,9,12,13,14-pentol
(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine
morphine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Thymidine 5-(hydrogen phosphate)
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6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione
3-nitro-N-[(1E)-quinoxalin-6-ylmethylene]benzohydrazide
4-[1-[(3-Methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
5-{[5-(diethylamino)-2-furyl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide
2-{[1-(4-Methoxy-phenyl)-eth-(E)-ylidene]-hydrazono}-4-oxo-[1,3]thiazinane-6-carboxylic acid
4-cyano-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]benzamide
3-[[Oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl ester
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide
2-chloro-N-[5-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]acetamide
3-Amino-6-cyclopropyl-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinecarbonitrile
3-[[5-(4-Ethylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-oxolanone
N-(2-acetylphenyl)-2-(2-oxo-1-quinoxalinyl)acetamide
2-[(1-Oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanone
3,3,3-Trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoic acid methyl ester
N-[3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-2-furancarboxamide
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-benzofurancarboxamide
(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydron;chloride
4-hydroxy-2-oxo-1-prop-2-enyl-N-(3-pyridinyl)-3-quinolinecarboxamide
6-(3-furanyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
2-(7-chloro-2-methyl-4-thiazolo[5,4-b]indolyl)-N,N-diethylethanamine
N-[(4S)-4-azaniumyl-4-carboxylatobutanoyl]-S-methyl-L-cysteinylglycine
1-naphthalen-2-yl-2-(7H-purin-1-ium-6-ylsulfanyl)ethanone
N-[[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]formamide
N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-4-methyl-5-isoquinolinesulfonamide
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin
Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)acetate
beta-Citrylglutamic acid
An N-acyl-L-glutamic acid in which the acyl group is specified as beta-citryl.
Asenapine (hydrochloride)
Asenapine hydrochloride, an antipsychotic, is a 5-HT (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) and Dopamine (D2, D3, D4) receptor antagonist with Ki values of 0.03-4.0 nM for 5-HT and 1.3, 0.42, 1.1 nM for Dopamine receptor, respectively.
CMS-121
CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage with EC50 values of 7 nM and 200 nM, respectively. CMS-121 has strong neuroprotective, anti-inflammatory, antioxidative and renoprotective activities[1][2][3].
[(8r,9r,10r,12r)-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.0²,⁷.0¹⁰,¹²]tetradeca-2,4,6-trien-8-yl]methoxycarboximidic acid
5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaene
11,12,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
(4s)-4-amino-4-[({[(1e)-2-(4-hydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]butanoic acid
17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),2,4(8),9,14,17,19-heptaen-16-one
(1s,4s)-4-benzyl-1,3-dihydroxy-1h,4h-pyrazino[2,1-b]quinazolin-6-one
14,15-dimethoxy-10-methyl-16-oxo-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,8,10,12,14-octaen-10-ium-8-olate
[(3s)-3,5-dimethyl-11h-pyrano[3,2-a]carbazol-3-yl]methyl acetate
4,5,9,10-tetrahydroxy-11-iminobenzo[b]fluorene-2-carbaldehyde
{3,5-dimethyl-11h-pyrano[3,2-a]carbazol-3-yl}methyl acetate
(2s)-2-amino-4-{[(1r)-1-[(2-carboxyethyl)-c-hydroxycarbonimidoyl]-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid
2-[4(3,4-methylenedioxyphenyl)butyl]-4-quinolone
{"Ingredient_id": "HBIN004204","Ingredient_name": "2-[4(3,4-methylenedioxyphenyl)butyl]-4-quinolone","Alias": "NA","Ingredient_formula": "C20H19NO3","Ingredient_Smile": "C1OC2=C(O1)C=C(C=C2)CCCCC3=CC(=O)C4=CC=CC=C4N3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14372","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
