Exact Mass: 325.0975
Exact Mass Matches: 325.0975
Found 500 metabolites which its exact mass value is equals to given mass value 325.0975,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pancratistatin
Pancratistatin is a citraconoyl group. Pancratistatin is a natural product found in Delphinium denudatum, Hymenocallis speciosa, and other organisms with data available. Pancratistatin is a isoquinoline alkaloid from amaryllis with antineoplastic activity.
N-Glycolylneuraminic acid
N-Glycolylneuraminic acid (Neu5Gc) is a widely expressed sialic acid found in most mammalian cells. Although humans are genetically deficient in producing Neu5Gc, small amounts are present in human cells and biofluids. Humans cannot synthesize Neu5Gc because the human gene CMAH is irreversibly mutated, though it is found in apes. This loss of the CMAH gene was estimated to have occurred two to three million years ago, just before the emergence of the genus Homo. A dietary origin of Neu5Gc was suggested by human volunteer studies. These trace amounts of Neu5Gc were determined to come from the consumption of animals in the human diet (i.e. red meats such as lamb, pork, and beef). Neu5Gc can also be found in dairy products, but to a lesser extent. Neu5Gc is not found in poultry and is found in only trace amounts in fish (Wikipedia). Isolated from beef serum KEIO_ID G062
Midazolam
A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH. [PubChem] Midazolam is a schedule IV drug in the United States. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3023 CONFIDENCE standard compound; INTERNAL_ID 1559 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Cheilanthifoline
Cheilanthifoline is a natural product found in Fumaria densiflora, Fumaria judaica, and other organisms with data available.
bulbocapnine
An aporphine alkaloid that has been isolated from Corydalis and exhibits inhibitory activity against enzymes such as tyrosine 3-monooxygenase and diamine oxidase.
Cassythicine
Alkaloid from Laurus nobilis (bay laurel). Cassythicine is found in tea, sweet bay, and herbs and spices. Cassythicine is found in herbs and spices. Cassythicine is an alkaloid from Laurus nobilis (bay laurel).
zofenoprilat
A proline derivative that is 4-(phenylsulfanyl)-L-proline in which the amine proton is replaced by a (2S)-2-methyl-3-sulfanylpropanoyl group. The active metabolite of zofenopril. C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor
Diniconazole
C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 831; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10020; ORIGINAL_PRECURSOR_SCAN_NO 10019 CONFIDENCE standard compound; INTERNAL_ID 831; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10120; ORIGINAL_PRECURSOR_SCAN_NO 10118 CONFIDENCE standard compound; INTERNAL_ID 831; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10087; ORIGINAL_PRECURSOR_SCAN_NO 10086 CONFIDENCE standard compound; INTERNAL_ID 831; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10071; ORIGINAL_PRECURSOR_SCAN_NO 10069 CONFIDENCE standard compound; INTERNAL_ID 831; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10044; ORIGINAL_PRECURSOR_SCAN_NO 10043 CONFIDENCE standard compound; INTERNAL_ID 831; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10088; ORIGINAL_PRECURSOR_SCAN_NO 10086
2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin
2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin is found in fruits. 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin is from Morus alba (white mulberry). From Morus alba (white mulberry). 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin is found in fruits.
Glucopyranosylmoranoline
Glucopyranosylmoranoline, or 4-O-a-D-Glucopyranosylmoranoline (CAS Number 80312-32-9), is a white to off-white solid, soluble in methanol and water, with melting point 189-192C. It is a alpa-glucosidase inhibitor, also may prove to be an effective oral anti-diabetic agent. (PMID: 1794940) D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
Isodomesticine
Isodomesticine is found in herbs and spices. Isodomesticine is an alkaloid from the leaves of Laurus nobilis (bay laurel). Alkaloid from the leaves of Laurus nobilis (bay laurel). Isodomesticine is found in tea, sweet bay, and herbs and spices.
Nornantenine
Nornantenine is found in herbs and spices. Nornantenine is an alkaloid from Laurelia sempervirens (Peruvian nutmeg
Romucosine A
Romucosine A is found in alcoholic beverages. Romucosine A is an alkaloid from Rollinia mucosa (biriba). Constituent of various plants including spinach. Pyropheophytin b is found in green vegetables.
Avenanthramide L
Avenanthramide L is found in cereals and cereal products. Avenanthramide L is isolated from oat, Avena sativa, inoculated with Puccinia coronata f. sp. avenae. Isolated from oat, Avena sativa, inoculated with Puccinia coronata f.species avenae. Avenanthramide L is found in oat and cereals and cereal products.
Dihyroxy-1H-indole glucuronide I
Dihyroxy-1H-indole glucuronide I is a conjugate of dihyroxy-1H-indole and glucuronide I. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
NeuNGc
NeuNGc, also known as N-Glycolylneuraminic acid or Neu5GC, is classified as a member of the N-acylneuraminic acids. N-acylneuraminic acids are neuraminic acids carrying an N-acyl substituent. NeuNGc is considered to be soluble (in water) and acidic
(2R,4R,5S,6S)-2,4-Dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Isolated from beef serum
7-Acetamidoflunitrazepam
Basimglurant
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Basimglurant (RG7090) is a potent, selective and orally available mGlu5 negative allosteric modulator with a Kd of 1.1 nM[1]. Basimglurant is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Bulbocapnine
[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-phenylmethanone
isoxazolyl penicillin
o6-Carboxymethyl-2'-deoxy-guanosine
Asparagine-betaxanthin
2,5-Dideoxy-2,5-imino-DL-glycero-D-manno-heptitol 7-beta-D-xylopyranoside
(Z)-3-(4-hydroxyphenyl)-2-methoxy-N-((E)-4-methoxystyryl)acrylamide|Botryllamide E
costinone B|methyl 4-hydroxy-3-{3-[(E)-methoxymethylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}benzoate
15,16-methanediyldioxy-3alpha-methoxy-11a-homo-erythrina-1,6-dien-8-one|8-Oxschelhammeridine|Alkaloid K|alkaloid-K (Schelhammera pedunculata)
(S)-3-methoxy-5,8,14,14a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[2,1-b]isoquinolin-2-ol|DC037029|S-(-)-2-hydroxy-3-methoxy-10,11-methylenedioxy-5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine
Benzyl glycoside,N-Ac-alpha-D-pyranose-2-Amino-2-deoxymannuronic acid
1,9-Dimethoxy-2-hydroxy-3-(hydroxymethyl)-5-azaacephenanthrylene-4(5H)-one
[5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl acetate
11a-Oxoschelhammeridine|15,16-methanediyldioxy-3alpha-methoxy-11a-homo-erythrina-1,6-dien-11a-one|Alkaloid J|alkaloid-J (Schelhammera pedunculata)
3-O-alpha-D-glucopyranosyl-1-deoxynojirimycin|4-O-alpha-D-glucopyranosyl-(1->4)-1-deoxynojirimycin
(+-)-Amurensin|(+-)-amurensine|7-methoxy-13-methyl-10,11-dihydro-5H-11c,5r-azaethano-benzo[4,5]cyclohepta[1,2:4,5]benzo[1,2-d][1,3]dioxol-8-ol|Amurensin|Amurensine
2,5-dideoxy-2,5-imino-(3-O-beta-D-glucopyranosyl)-D-mannitol|3-O-beta-D-glucopyranosyl-2R,5R-dihydroxymethyl-3R,4R-dihydroxypyrrolidine
6,7-dimethoxy 4-(3-methoxy 4-hydroxy benzyl)isoquinoline
(7aS)-8c,10-dimethoxy-(7ar)-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinoline|Nor-oliverin|Noroliverine|O-methyl-noroliveridine
(4-hydroxy-3-methoxyphenyl)acetonitrile 4-O-beta-D-glucopyranoside|4-hydroxy-3-methoxyphenylacetonitrile 4-O-beta-D-glucopyranoside|adenophoraside A|hydranitriloside B1|[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]acetonitrile
(3-hydroxy-4-methoxyphenyl)acetonitrile 3-O-beta-D-glucopyranoside|hydranitriloside A2|[3-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]acetonitrile
desulfo-4-(methylsulfanyl)butyl GL|desulfoglucoerucin|DS-GER
2-cyano-3-hydroxy-4-methylbenzenemethanol-7-O-beta-D-glucopyranoside|crenulatanoside A
(7aXi,8R)-4-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-8-ol|Guatterin
6,7-dimethoxy 4-(4-methoxy 3-hydroxy benzyl)isoquinoline
4-Amino-1-(O5-phosphono-beta-D-ribofuranosyl)-5,6-dihydro-1H-pyrimidin-2-on|4-amino-1-(O5-phosphono-beta-D-ribofuranosyl)-5,6-dihydro-1H-pyrimidin-2-one
(+-)-litsedine|11,12-dimethoxy-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinoline|Litsedin|Litsedine|O-Methyl-nandigerin|O-Methylnandigerin
6-methoxy-7-hydroxy 4-(3,4-dimethoxybenzyl)isoquinoline
1,3-dihydroxy-4-[(Z)-3-hydroxy-3-methylbuten-1-yl]-N-methylacridone
2,3-Dihydro-2,6-dihydroxy-3,3-dimethyl-1H-pyrano[2,3-c]acridine-1,7(12H)-dione
(7aS)-8c-methoxy-7-methyl-(7ar)-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-10-ol|Polysuavin|Polysuavine
midazolam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
GSK232420A
CONFIDENCE standard compound; INTERNAL_ID 819; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4045; ORIGINAL_PRECURSOR_SCAN_NO 4040 CONFIDENCE standard compound; INTERNAL_ID 819; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4069; ORIGINAL_PRECURSOR_SCAN_NO 4064 CONFIDENCE standard compound; INTERNAL_ID 819; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4044; ORIGINAL_PRECURSOR_SCAN_NO 4041 CONFIDENCE standard compound; INTERNAL_ID 819; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4047; ORIGINAL_PRECURSOR_SCAN_NO 4043 CONFIDENCE standard compound; INTERNAL_ID 819; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4075; ORIGINAL_PRECURSOR_SCAN_NO 4070 CONFIDENCE standard compound; INTERNAL_ID 819; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4077; ORIGINAL_PRECURSOR_SCAN_NO 4072
Nornantenine
Isodomesticine
Romucosine A
2-O-a-D-Galactopyranosyl-1-deoxynojirimycin
Glucopyranosylmoranoline
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzoic acid
3-[[3-oxo-3-(4-propan-2-ylphenyl)propanoyl]amino]benzoic acid
3-[3-(3-ethylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
3-[3-(4-ethylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
3-[3-(3,4-dimethylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]quinazoline
4-(3-Chloro-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
N-BOC-BELTA-ALANINE-BELTA-2-CHLOROPHENYL-N-CARBOXYANHYDRIDE
(S)-BENZYL 3-((TERT-BUTOXYCARBONYL)AMINO)-4-FLUORO-4-OXOBUTANOATE
3-AMINO-3-(3-[3-(TRIFLUOROMETHYL)PHENOXY]PHENYL)PROPANOIC ACID
(S)-3-(Methylthio)pyrrolidine-3-carboxylic acid Methyl ester L-tartarate
(4-(N-(4-Fluoro-3-methoxyphenyl)sulfamoyl)phenyl)boronic acid
(11ar)-(+)-10,11,12,13-tetrahydrodiindeno[7,1-de:1,7-fg][1,3,2]dioxaphosphocin-5-dimethylamine
TRANS-1-(TERT-BUTOXYCARBONYL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
1,3-bis(3,3,3-trifluoropropyl)tetramethyldisilazane
3-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2-METHYLPROPANOIC ACID
2H-1,4-Benzodiazepin-2-one,1,3-dihydro-1-(methoxymethyl)-7-nitro-5-phenyl-
3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
6-amino-3-methyl-1,4-diphenylpyrazolo[3,4-b]pyridine-5-carbonitrile
4-Piperidinecarbonitrile,4-[(3-chlorophenyl)amino]-1-(phenylmethyl)-
2H-Isoindole-2-aceticacid, 1,3-dihydro-a-[(4-methoxyphenyl)methyl]-1,3-dioxo-, (S)- (9CI)
METHYL 6-HYDROXY-5-OXO-7-(1-PHENYLALLYL)-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Ethyl 5-hydroxy-8-methyl-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
5-[N-(3,5-BISTRIFLUOROMETHYLBENZYL)AMINO]-2-METHYLTETRAZOLE
(4S,5R)-3,5-Oxazolidinecarboxylic acid, 3-benzoyl-2,2-dimethy1-4-pheny1
2-amino-N-[2-[(4-methyl-2-oxochromen-7-yl)amino]-2-oxoethyl]acetamide,hydrochloride
1-[4-(3,5-Dimethylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
2-formylphenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
Chlophedianol Hydrochloride
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
N-[(4-CHLORO-PHENYL)-(2-HYDROXY-NAPHTHALEN-1-YL)-METHYL]-ACETAMIDE
1-Pyrrolidinecarboxylic acid, 2-(4-bromophenyl)-, 1,1-dimethylethyl ester, (2R)-
4-Nitrophenyl 2-(2-tert-butoxy-2-oxoethyl)-2-Methylhydrazinecarboxylate
(4,5-DIHYDRO-THIAZOL-2-YL)-[2-(4-METHOXY-PHENYL)-ETHYL]-AMINE
Boronic acid, B-[4-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]phenyl]-
(1-[2-(4-FLUORO-PHENYL)-ETHYL]-1H-PYRROL-2-YL)-METHANOL
6-Isoquinolinol,1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-
Chloropyramine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Chloropyramine hydrochloride is a histamine receptor H1 antagonist which can also inhibit the biochemical function of VEGFR-3 and FAK.
tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
Methanone, [4-amino-2-(ethylthio)-5-pyrimidinyl](2,3-difluoro-6-Methoxyphenyl)-
Etazolate hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
4-Amino-5-benzoyl-2-(4-methoxyphenylamino)thiazole
4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1H-indole
3-(2-Methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-methoxyindole-2,3-dione
5-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxopentanoic acid
3-[5-(dimethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]propanoic acid
2-(2-imidazo[1,2-a]pyridinylmethylthio)-6-nitro-1H-benzimidazole
N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine
2-[(4-Chloroanilino)methylidene]-5-phenylcyclohexane-1,3-dione
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide
2-[[6-(2-furanyl)-3-pyridazinyl]thio]-N-(3-methylphenyl)acetamide
(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide
2-chloro-N-(2-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
2-(Anilinomethylidene)-5-(3-chlorophenyl)cyclohexane-1,3-dione
N-[4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL]-N,N-dimethyl-benzene-1,4-diamine
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
(R)-(+) 5(9BH)-Oxo-9B-phenyl-2,3-dihydrothiazolo[2,3-A]isoindol-3-carboxylic acid methyl ester
Basimglurant
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Basimglurant (RG7090) is a potent, selective and orally available mGlu5 negative allosteric modulator with a Kd of 1.1 nM[1]. Basimglurant is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
3-amino-N-[3-(triluoromethyl)benzoyl]pyrazine-2-carbohydrazide
(2,2-Dimethyl-5-phenylimino-1,3,4-thiadiazolidin-3-yl)-(2-methylphenyl)methanone
methyl 2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
12H-Benzo[a]-1,3-benzodioxolo[4,5-g]quinolizin-9-ol, 6,6a,11,14-tetrahydro-8-methoxy-
6,7-dimethyl-8-(1-D-ribityl)lumazine(1-)
The anion formed from 6,7-dimethyl-8-(1-D-ribityl)lumazine by removal of a proton from the nitrogen at position 3 (i.e. between the oxo groups). It is the major species at physiological pH.
2-Amino-4-[5-(2-amino-2-carboxylatoethyl)-2-hydroxyphenyl]pentanedioate
2-Amino-4-[3-(2-amino-2-carboxylatoethyl)-6-oxocyclohexa-1,4-dien-1-yl]pentanedioate
2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
[amino-[2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylidene]azanium
4-Hydroxypapaverine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
12-phenyl-12H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-amine
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
6-Chloro-n2-cyclopentyl-n4-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione
N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide
2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone
3-(4-Chlorophenyl)-2-(1-pyrrolidinyl)-4-quinazolinone
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide
3-(1,3-Benzothiazol-2-yl)propanoic acid phenacyl ester
3-(3-Benzo[1,3]dioxol-5-yl-acryloylamino)-benzoic acid methyl ester
5-(3,4-dimethoxyphenyl)-N-(3-pyridinyl)-3-isoxazolecarboxamide
8-Nitro-5-[3-(trifluoromethyl)-1-piperidinyl]isoquinoline
N-[2-(1-cyclohexenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide
1-(4-Methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea
4-{(2E)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl}benzoic acid
2-(2,4-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1-cyclopropane]-1,3(2H)-dione
2-[(4Z)-4-(furan-2-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
2-(2-imino-3-thiazolyl)-N-(2-phenoxyphenyl)acetamide
(4-Methyl-1-piperazinyl)-(6-methyl-2-thieno[2,3-b]quinolinyl)methanone
4-(Phenylmethyl)-1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinol
(2R,3R,4S)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenylazetidine-1-carboxamide
(2S,3S,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide
(2R,3S,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide
(2R,3S,4S)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenylazetidine-1-carboxamide
(2S,3R,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide
(2S,3S,4S)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide
(2R,3R,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide
sodium (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onate
3-[(6-acetyl-3,4,5-trihydroxyoxan-2-yl)oxy]-3a,4,7,7a-tetrahydro-1H-isoindol-1-one
6-({[3,5-Dimethyl-4-(methylthio)phenoxy]carbonyl}amino)hexanoic acid
ethyl 4-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoate
(4E,11E)-2-hydroxytrideca-4,11-diene-1,2,3-tricarboxylate
(2S,4E)-4-[2-[(2S,4R)-2-carboxy-4-hydroxypyrrolidin-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
(2S)-2-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
alpha-Cyano-alpha-(3,4-dimethoxyphenyl)benzenepropanoic acid methyl ester
5,7-Dimethyl-3-hydroxyimino-34-methylenedoxyflavanone
N-glycoloyl-beta-neuraminic acid
An N-acylneuraminic acid in which the acyl substituent on nitrogen is glycolyl and which has beta-configuration at the anomeric centre.
4-O-alpha-D-Glucopyranosylmoranoline
A monosaccharide derivative that is (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol having an alpha-D-glucosyl residue attached at position 4. D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
5-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
N-glycoloyl-alpha-neuraminic acid
An N-acylneuraminic acid in which the acyl substituent on nitrogen is glycoloyl and which has alpha-configuration at the anomeric centre.
4-O-beta-D-glucosyl-trans-4-coumarate
A 4-O-beta-D-glucosyl-4-coumarate in which the double bond has trans-configuration.
(S)-nandinine
A berberine alkaloid that is 5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline carrying hydroxy and methoxy substituents at positions 9 and 10 respectively.
Auglurant
Auglurant (VU0424238) is a novel and selective mGlu5 antagonist with an IC50 value of 11 nM (rat) and an IC50 value of 14 nM (human). Auglurant (VU0424238) has an acceptable CNS penetration[1].
17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-16-ol
(13s)-16-methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14(19),15,17-hexaen-17-ol
(2r,3r,4s,5s,6r)-2-{[(2r,3r,4r,5s)-3,5-dihydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaen-13-ol
1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-en-1-yl)acridin-9-one
2-(2-hydroxypropan-2-yl)-6-methoxy-1h,2h,7h-pyrano[3,4-c]carbazol-4-one
1,3-dihydroxy-4-[(1z)-3-hydroxy-3-methylbut-1-en-1-yl]-10-methylacridin-9-one
(12r)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-18-ol
6-ethylidene-2-methyl-12-phenyl-4,8-dioxa-10-azatricyclo[7.4.0.0²,⁷]trideca-1(9),10,12-triene-3,13-diol
2-(2-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1-hydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaen-16-ol
15,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene
2-{[3,5-dihydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
16-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-15-ol
2-o-α-d-galactopyranosyl-1-deoxynojirimycin
{"Ingredient_id": "HBIN006186","Ingredient_name": "2-o-\u03b1-d-galactopyranosyl-1-deoxynojirimycin","Alias": "NA","Ingredient_formula": "C12H23NO9","Ingredient_Smile": "C1C(C(C(C(N1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15433","TCMID_id": "8051","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
armatamide
{"Ingredient_id": "HBIN016852","Ingredient_name": "armatamide","Alias": "NA","Ingredient_formula": "C19H19NO4","Ingredient_Smile": "COC1=CC=C(C=C1)CCNC(=O)C=CC2=CC3=C(C=C2)OCO3","Ingredient_weight": "325.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1737","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5320157","DrugBank_id": "NA"}
