Exact Mass: 325.1043204
Exact Mass Matches: 325.1043204
Found 466 metabolites which its exact mass value is equals to given mass value 325.1043204,
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
C18H13ClFN3 (325.07819800000004)
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
Monocrotaline
Hepatotoxin. Causative agent of much seneciosis, e.g. accidental poisoning by S. by weed residues in bread, and characterised by venoocculosive disease Hepatotoxin. Causative agent of much seneciosis, e.g. accidental poisoning by S. by weed residues in bread, and characterised by venoocculosive diseas CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2249 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 131 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 121 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 151 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 141 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 111 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 161 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 171 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 101 Monocrotaline is an 11-membered macrocyclic pyrrolizidine alkaloid. Monocrotaline inhibits OCT-1 and OCT-2 with IC50s of 36.8 μM and 1.8 mM, respectively. Monocrotaline has antitumor activity and is cytotoxic to hepatocellular carcinoma cells. Monocrotaline is used to induce a model of pulmonary hypertension in rodents. [2][6][8]. Monocrotaline is an 11-membered macrocyclic pyrrolizidine alkaloid. Monocrotaline inhibits OCT-1 and OCT-2 with IC50s of 36.8 μM and 1.8 mM, respectively. Monocrotaline has antitumor activity and is cytotoxic to hepatocellular carcinoma cells. Monocrotaline is used to induce a model of pulmonary hypertension in rodents. [2][6][8].
Amdinocillin
Amdinocillin is only found in individuals that have used or taken this drug. It is an amidinopenicillanic acid derivative with broad spectrum antibacterial action. It is poorly absorbed if given orally and is used in urinary infections and typhus. [PubChem]Amdinocillin is a stong and specific antagonist of Penicillin Binding Protein-2 (PBP 2). It is active against gram negative bacteria, preventing cell wall synthesis by inhibiting the activity of PBP2. PBP2 is a peptidoglycan elongation initiating enzyme. Peptidoglycan is a polymer of sugars and amino acids that is the main component of bacterial cell walls. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
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
C15H19NO3S2 (325.08063039999996)
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
C15H17Cl2N3O (325.07486120000004)
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
Junosine
Junosine is found in citrus. Junosine is an alkaloid from the bark of Citrus junos (yuzu). Alkaloid from the bark of Citrus junos (yuzu). Junosine is found in citrus.
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
Palaudine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Palaudine is a minor alkaloid from opium (Papaver somniferum
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
Nona-3,5,7-trienedioylcarnitine
nona-3,5,7-trienedioylcarnitine is an acylcarnitine. More specifically, it is an nona-3,5,7-trienedioic 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. nona-3,5,7-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-3,5,7-trienedioylcarnitine 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].
(2E,4E,7E)-Nona-2,4,7-trienedioylcarnitine
(2E,4E,7E)-nona-2,4,7-trienedioylcarnitine is an acylcarnitine. More specifically, it is an (2E,4E,7E)-nona-2,4,7-trienedioic 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. (2E,4E,7E)-nona-2,4,7-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,4E,7E)-nona-2,4,7-trienedioylcarnitine 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].
(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
C18H13ClFN3 (325.07819800000004)
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
1-(4-Aminophenyl)-7,8-dimethoxy-3-methyl-5H-2,3-benzodiazepin-4-one
Carbamic acid, (5-amino-1,2-dihydro-3-(4-methylphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
C17H19N5O2 (325.15386739999997)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents
[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-phenylmethanone
Diniconazole
C15H17Cl2N3O (325.07486120000004)
isoxazolyl penicillin
o6-Carboxymethyl-2'-deoxy-guanosine
Piritrexim
C17H19N5O2 (325.15386739999997)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents
Pixantrone
C17H19N5O2 (325.15386739999997)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances > L01DB - Anthracyclines and related substances D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors
2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate
2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate belongs to tricarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly three carboxyl groups. 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate can be found in a number of food items such as feijoa, german camomile, sugar apple, and rapini, which makes 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate a potential biomarker for the consumption of these food products.
Asparagine-betaxanthin
Monocrotaline
Monocrotaline is a pyrrolizidine alkaloid. Monocrotaline is a natural product found in Crotalaria novae-hollandiae, Crotalaria recta, and other organisms with data available. A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment. Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.154 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.142 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.145 Monocrotaline is an 11-membered macrocyclic pyrrolizidine alkaloid. Monocrotaline inhibits OCT-1 and OCT-2 with IC50s of 36.8 μM and 1.8 mM, respectively. Monocrotaline has antitumor activity and is cytotoxic to hepatocellular carcinoma cells. Monocrotaline is used to induce a model of pulmonary hypertension in rodents. [2][6][8]. Monocrotaline is an 11-membered macrocyclic pyrrolizidine alkaloid. Monocrotaline inhibits OCT-1 and OCT-2 with IC50s of 36.8 μM and 1.8 mM, respectively. Monocrotaline has antitumor activity and is cytotoxic to hepatocellular carcinoma cells. Monocrotaline is used to induce a model of pulmonary hypertension in rodents. [2][6][8].
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
3-(2-((2-Methoxybenzyl)amino)ethyl)quinazoline-2,4(1H,3H)-dione
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
C12H23NO5S2 (325.10175879999997)
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
Mecillinam
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
C16H23NO6_2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-3,4-dihydroxy-3,4,5-trimethyl
midazolam
C18H13ClFN3 (325.07819800000004)
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
4,5-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
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
4,5-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹?]hexadec-10-ene-3,7-dione
Citalopram (propionic acid derivative)
C19H16FNO3 (325.11141580000003)
Nornantenine
Isodomesticine
Romucosine A
2-O-a-D-Galactopyranosyl-1-deoxynojirimycin
Glucopyranosylmoranoline
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
clemizole
C19H20ClN3 (325.13456700000006)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
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
Benzeneacetic acid, a-(hydroxymethyl)-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride (1:1), (aS)-
C17H24ClNO3 (325.14446240000007)
4-(3-Chloro-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
Diniconazole M
C15H17Cl2N3O (325.07486120000004)
C254 - Anti-Infective Agent > C514 - Antifungal Agent
tert-Butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate
C15H20FN3O4 (325.14377720000005)
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
n-([3-(trifluoromethyl)phenyl]sulfonyl)valine
C12H14F3NO4S (325.05956000000003)
(S)-3-(Methylthio)pyrrolidine-3-carboxylic acid Methyl ester L-tartarate
3-(2-ETHOXYCARBONYL-ETHYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLICACIDDIETHYLESTER
(4-(N-(4-Fluoro-3-methoxyphenyl)sulfamoyl)phenyl)boronic acid
C13H13BFNO5S (325.05914900000005)
2-O-(2-Methoxyethyl)adenosine
2′-O-(2-Methoxyethyl)adenosine is a compound can be used in the synthesis of oligonucleotides[1].
(11ar)-(+)-10,11,12,13-tetrahydrodiindeno[7,1-de:1,7-fg][1,3,2]dioxaphosphocin-5-dimethylamine
C19H20NO2P (325.12315900000004)
TRANS-1-(TERT-BUTOXYCARBONYL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
C16H20ClNO4 (325.10807900000003)
(betaR)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,5-dimethoxybenzenepropanoic acid
Boc-trans-DL-b-Pro-4-(4-chlorophenyl)-OH
C16H20ClNO4 (325.10807900000003)
1,3-bis(3,3,3-trifluoropropyl)tetramethyldisilazane
C10H21F6NSi2 (325.11166579999997)
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-
C17H15N3O4 (325.10625100000004)
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
1-(2-FLUORO-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLICACID
4-Piperidinecarbonitrile,4-[(3-chlorophenyl)amino]-1-(phenylmethyl)-
C19H20ClN3 (325.13456700000006)
(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3,4-DIMETHOXYPHENYL)PROPANOIC ACID
2H-Isoindole-2-aceticacid, 1,3-dihydro-a-[(4-methoxyphenyl)methyl]-1,3-dioxo-, (S)- (9CI)
tert-Butyl 4-(2,4-difluorobenzoyl)piperidin-1-carboxylate
C17H21F2NO3 (325.14894200000003)
METHYL 6-HYDROXY-5-OXO-7-(1-PHENYLALLYL)-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
1-BENZYL-3-(2,2-DIFLUORO-ETHYL)-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER
C17H21F2NO3 (325.14894200000003)
[(1R)-1-(benzyloxycarbonylamino)-2-cyclohexyl-ethyl]phosphinic ac id
4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
C16H20ClNO4 (325.10807900000003)
5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride
C17H24ClNO3 (325.14446240000007)
3-TERT-BUTOXYCARBONYLAMINO-3-(3,4-DIMETHOXY-PHENYL)-PROPIONIC ACID
tert-Butyl (1-(4-bromophenyl)cyclobutyl)carbamate
C15H20BrNO2 (325.06773200000003)
Ethyl 5-hydroxy-8-methyl-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
C17H15N3O4 (325.10625100000004)
5-[N-(3,5-BISTRIFLUOROMETHYLBENZYL)AMINO]-2-METHYLTETRAZOLE
C11H9F6N5 (325.07621059999997)
N-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
C16H20ClNO4 (325.10807900000003)
(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
4-bromo-N-cyclohexyl-2-ethoxybenzamide
C15H20BrNO2 (325.06773200000003)
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)-
C15H20BrNO2 (325.06773200000003)
4-Nitrophenyl 2-(2-tert-butoxy-2-oxoethyl)-2-Methylhydrazinecarboxylate
(4,5-DIHYDRO-THIAZOL-2-YL)-[2-(4-METHOXY-PHENYL)-ETHYL]-AMINE
C16H15N5OS (325.09972600000003)
PHENYLETHYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Boronic acid, B-[4-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]phenyl]-
C14H11BF3NO4 (325.07331920000007)
(1-[2-(4-FLUORO-PHENYL)-ETHYL]-1H-PYRROL-2-YL)-METHANOL
C19H20NO2P (325.12315900000004)
6-Isoquinolinol,1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-
1-Boc-4-[(4-chlorophenyl)hydroxyMethyl]piperidine
C17H24ClNO3 (325.14446240000007)
3-((TERT-BUTOXYCARBONYL)AMINO)-2-(3,4-DIMETHOXYPHENYL)PROPANOIC ACID
N-(4-ethoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
benzyl 4-(2-bromoethyl)piperidine-1-carboxylate
C15H20BrNO2 (325.06773200000003)
2-(TRIPHENYLPHOSPHONIO)ETHYL CHLORO-
C20H19ClP+ (325.09128340000007)
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
C15H20BrNO2 (325.06773200000003)
Capobenic acid
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
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
3-(Aminomethyl)-7,9,12-trimethyl-2H-[1,4]oxazino[2,3,4-ij]pyrido[3,2-g]quinoline-5,11(3H,12H)-dione
4-Amino-5-benzoyl-2-(4-methoxyphenylamino)thiazole
4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1H-indole
C19H20ClN3 (325.13456700000006)
Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-
C13H19N5OS2 (325.10309639999997)
3-(2-Methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
C17H15N3O4 (325.10625100000004)
N-[1-(4-nitrophenyl)ethylidene]-4-(2-pyridinyl)-1-piperazinamine
C17H19N5O2 (325.15386739999997)
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
C15H19NO5S (325.09838840000003)
3-[5-(dimethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]propanoic acid
C14H19N3O4S (325.10962140000004)
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
C15H15N7S (325.11095900000004)
2-[(4-Chloroanilino)methylidene]-5-phenylcyclohexane-1,3-dione
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide
2-imino-N,8-dimethyl-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxamide
C17H19N5O2 (325.15386739999997)
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
Butanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester
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
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
C17H19N5O2 (325.15386739999997)
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-
C17H19N5O2 (325.15386739999997)
(R)-(+) 5(9BH)-Oxo-9B-phenyl-2,3-dihydrothiazolo[2,3-A]isoindol-3-carboxylic acid methyl ester
Pixantrone
C17H19N5O2 (325.15386739999997)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances > L01DB - Anthracyclines and related substances D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors
Basimglurant
C18H13ClFN3 (325.07819800000004)
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.
Palaudine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
3-amino-N-[3-(triluoromethyl)benzoyl]pyrazine-2-carbohydrazide
4,5-Dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
(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.
(E)-2-methylgeranyl diphosphate(3-)
C11H19O7P2-3 (325.06059839999995)
4-O-beta-D-Glucosyl-4-hydroxycinnamate
C15H17O8- (325.09233820000003)
trans-beta-D-Glucosyl-2-hydroxycinnamate
C15H17O8- (325.09233820000003)
4-O-beta-D-Glucosyl-cis-p-coumarate
C15H17O8- (325.09233820000003)
2-(beta-D-glucosyloxy)-cis-cinnamate
C15H17O8- (325.09233820000003)
2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate
2-Amino-4-[5-(2-amino-2-carboxylatoethyl)-2-hydroxyphenyl]pentanedioate
C14H17N2O7- (325.10357120000003)
2-Amino-4-[3-(2-amino-2-carboxylatoethyl)-6-oxocyclohexa-1,4-dien-1-yl]pentanedioate
C14H17N2O7- (325.10357120000003)
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
C12H17N6O5+ (325.12603720000004)
5-(1-Carboxylatoethenoxy)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylate
1-(4-methoxyphenyl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
1-[[(5-Hex-1-ynyl-2-furanyl)-oxomethyl]amino]-3-phenylurea
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
C17H15N3O4 (325.10625100000004)
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
C16H15N5OS (325.09972600000003)
1-(4-Methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea
1-(4-methoxyphenyl)-N-(2-oxolanylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine
C17H19N5O2 (325.15386739999997)
2-(6-Ethyl-4-methyl-quinazolin-2-ylamino)-6-methoxymethyl-1H-pyrimidin-4-one
C17H19N5O2 (325.15386739999997)
1-Azepanyl-[4-[(phenylthio)methyl]phenyl]methanone
C20H23NOS (325.15002680000003)
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
(1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate
2-[(4Z)-4-(furan-2-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
C17H15N3O4 (325.10625100000004)
2-(2-imino-3-thiazolyl)-N-(2-phenoxyphenyl)acetamide
(4-Methyl-1-piperazinyl)-(6-methyl-2-thieno[2,3-b]quinolinyl)methanone
1,3-Benzodioxol-5-yl 2-methyl-6-(trifluoromethyl)nicotinate
C15H10F3NO4 (325.05618960000004)
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
N(2)-[(R)-2-amino-2-(4-hydroxyphenyl)acetyl]-N-butyl-L-cysteinamide
Diacylglycerol 2-trimethylaminoethylphosphonate
C12H24NO7P (325.12903239999997)
2-amino-6,7-dimethyl-4-oxo-8-(1-D-ribityl)-4,8-dihydropteridine
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
C17H15N3O4 (325.10625100000004)
(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
C14H17N2O7+ (325.10357120000003)
(2S)-2-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
(3R,13aR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
3-(Diethoxyphosphinyl)methyl-5-phenethyl-2-isoxazoline
alpha-Cyano-alpha-(3,4-dimethoxyphenyl)benzenepropanoic acid methyl ester
5,7-Dimethyl-3-hydroxyimino-34-methylenedoxyflavanone
(1R,4R,5R,6S,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
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
(1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate
Tricarboxylate anion of (1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid.
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].