Exact Mass: 247.1545362
Exact Mass Matches: 247.1545362
Found 456 metabolites which its exact mass value is equals to given mass value 247.1545362,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Linamarin
C10H17NO6 (247.10558220000001)
Linamarin is a beta-D-glucoside. It is functionally related to a 2-hydroxy-2-methylpropanenitrile. Linamarin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Linamarin is found in coffee and coffee products. Linamarin occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isloated in 1830. Occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isol in 1830. Linamarin is found in many foods, some of which are gooseberry, chinese broccoli, cascade huckleberry, and leek. Linamarin is found in coffee and coffee products. Linamarin occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isloated in 1830. Linamarin, a natural compound, possesses anticancer activity[1]. Linamarin, a natural compound, possesses anticancer activity[1].
Meperidine
C15H21NO2 (247.15722060000002)
A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration. [PubChem] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives 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
semustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Ketobemidone
C15H21NO2 (247.15722060000002)
Ketobemidone (Cliradon, Ketogan, Ketodur, Cymidon, Ketorax, &c.) is a powerful opioid analgesic. Its effectiveness against pain is in the same range as morphine, and it also has some NMDA-antagonist properties imparted by its metabolite norketobemidone. This makes it useful for some types of pain that dont respond well to other opioids. The most commonly cited equalisation ratio for analgesic doses is 25 mg of ketobemidone hydrobromide to 60 mg of morphine hydrochloride or sulfate and circa 8 mg of ketobemidone by injection. Ketobemidone is 1-methyl-4-(3-hydroxyphenyl)-4-propionylpiperidine. It is usually available as the hydrochloride, which is a white powder. It is synthesized by alkylating (3-methoxyphenyl)acetonitrile with bis(2-chloroethyl)methylamine, followed by reaction with ethylmagnesiumbromide, and finally O-demethylation with hydrobromic acid. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives 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 Same as: D08100
Neoherculin
Neoherculin is found in herbs and spices. Neoherculin is a constituent of Zanthoxylum species Constituent of Zanthoxylum subspecies Neoherculin is found in herbs and spices.
1-(5-Methyl-3-pyridinyl)-1-decanone
1-(5-Methyl-3-pyridinyl)-1-decanone is a constituent of Piper retrofractum (Javanese long pepper)
Threonylglutamine
C9H17N3O5 (247.11681520000002)
Threonylglutamine is a dipeptide composed of threonine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Threonyllysine
Threonyllysine is a dipeptide composed of threonine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Malonylcarnitine
C10H17NO6 (247.10558220000001)
Malonylcarnitine is a metabolite that accumulates with specific disruption of fatty-acid oxidation caused by impaired entry of long-chain acylcarnitine esters into the mitochondria and failure of the mitochondrial respiratory chain at complex 11 and malonyl-CoA decarboxylase (EC 4.1.1.9) deficiency (OMIM 248360). Malonylcarnitine has also been found to accumulate in some newborns with medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) deficiency (OMIM 201450). (PMID 11558490, 15303003, 12651823) [HMDB] Malonylcarnitine is a metabolite that accumulates with specific disruption of fatty-acid oxidation caused by the impaired entry of long-chain acylcarnitine esters into the mitochondria and failure of the mitochondrial respiratory chain at complex 11 and malonyl-CoA decarboxylase (EC 4.1.1.9) deficiency (OMIM: 248360). Malonylcarnitine has also been found to accumulate in some newborns with medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) deficiency (OMIM: 201450). (PMID:11558490, 15303003, 12651823).
3-Hydroxybutyrylcarnitine
3-Hydroxybutyrylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxybutyric 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. 3-Hydroxybutyrylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-hydroxybutyrylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular 3-hydroxybutyrylcarnitine is elevated in the blood or plasma of individuals with short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939, PMID: 15870679), prediabetes (PMID: 28505362), T2DM (PMID: 28505362), metallosis (PMID: 30271721), mitochondrial acetoacetyl-coa thiolase deficiency (PMID: 20157782), and heart failure (PMID: 25881932). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). 3-Hydroxybutyrylcarnitine is elevated in the urine of individuals with renal cell carcinoma (PMID: 29658093). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
Glutaminylthreonine
C9H17N3O5 (247.11681520000002)
Glutaminylthreonine is a dipeptide composed of glutamine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Lysylthreonine
Lysylthreonine is a dipeptide composed of lysine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Threoninyl-Gamma-glutamate
C9H17N3O5 (247.11681520000002)
Threoninyl-Gamma-glutamate is a dipeptide composed of threonine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
(R)-3-hydroxybutyrylcarnitine
(R)-3-Hydroxybutyrylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxybutanoic 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. (R)-3-Hydroxybutyrylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (R)-3-hydroxybutyrylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular (R)-3-hydroxybutyrylcarnitine is elevated in the blood or plasma of individuals with short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939, PMID: 15870679), prediabetes (PMID: 28505362), T2DM (PMID: 28505362), metallosis (PMID: 30271721), mitochondrial acetoacetyl-coa thiolase deficiency (PMID: 20157782), and heart failure (PMID: 25881932). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). (R)-3-Hydroxybutyrylcarnitine is elevated in the urine of individuals with renal cell carcinoma (PMID: 29658093). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
(+-)-Carbovir
C11H13N5O2 (247.10691980000004)
2-Ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D009676 - Noxae > D000477 - Alkylating Agents
N-(2,6-Dimethylphenyl)-2-(piperazin-1-yl)acetamide
7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
N-(2-Methylpropyl)dodeca-2,4,8,10-tetraenamide
8-OH-Dpat
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists 8-OH-DPAT is a potent and selective 5-HT agonist, with a pIC50 of 8.19 for 5-HT1A and a Ki of 466 nM for 5-HT7; 8-OH-DPAT weakly binds to 5-HT1B (pIC50, 5.42), 5-HT (pIC50 <5).
Ethylphenidate
C15H21NO2 (247.15722060000002)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Indenolol
C15H21NO2 (247.15722060000002)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Methoxetamine
C15H21NO2 (247.15722060000002)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
Naxagolide
C15H21NO2 (247.15722060000002)
Parbendazole
C13H17N3O2 (247.13207020000002)
pyrrolostatin
C15H21NO2 (247.15722060000002)
Axamide 4
4-(3,7-dimethylocta-2,6-dienyl)-1H-pyrrole-2-carboxylic acid
C15H21NO2 (247.15722060000002)
[R-(R*,R*)]-4-(1-Isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene
Methoxetamine
C15H21NO2 (247.15722060000002)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
1,4-dioxa-8-azaspiro[4.5]dec-8-yl(phenyl)methanone
Ethylphenidate
C15H21NO2 (247.15722060000002)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-2-amine
C11H13N5O2 (247.10691980000004)
N1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-2-cyano-3-(dimethylamino)acrylamide
(-)-undeca-5-hydroxy-2Z-ene-8,10-diynoic acid isobutylamide|(-)undeca-5-hydroxy-2Z-ene-8,10-diynoic acid isobutylamide
C15H21NO2 (247.15722060000002)
3-(4-methyl-2-oxo-3-phenyl-tetrahydro-[3]furyl)-propionic acid amide|3-(4-Methyl-2-oxo-3-phenyl-tetrahydro-[3]furyl)-propionsaeure-amid
Me glycoside,N-Ac,4,6-dimesyl-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose
1-[(2E,4E,6E)-2,4,6-dodecatrienoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
Me glycoside,N-Ac,2,4-dimesyl-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
2-(3-Hydroxy-3-methylbutyl)-6-hydroxy-4(1H)-quinolone
2-Methylpropylamide 鈥樎?2E,4E,8Z,11E)-2,4,8,11-Dodecatetraenoic acid
4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-beta-D-Pyranose-form-Me glycoside,N-Ac
1-isocyanatearomadendrane|1-isocyanatoaromadendrane
2-(3-Hydroxy-3-methylbutyl)-7-hydroxy-4(1H)-quinolone
N-(2-methyl-3-oxodec-8-enoyl)pyrrole
C15H21NO2 (247.15722060000002)
meperidine
C15H21NO2 (247.15722060000002)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives 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 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3331 EAWAG_UCHEM_ID 3331; CONFIDENCE standard compound
1-Isothiocyanato-9-(methylsulfinyl)-nonane
Acquisition and generation of the data is financially supported in part by CREST/JST.
Linamarin
C10H17NO6 (247.10558220000001)
Linamarin, a natural compound, possesses anticancer activity[1]. Linamarin, a natural compound, possesses anticancer activity[1].
((10S)-3,7,10-trimethyl-1,3a,4,8,9,9a,10,10a-octahydrocyclopenta[b]quinolizin-2-yl)methanol
Y-27632 (hydrochloride)
Malonylcarnitine
C10H17NO6 (247.10558220000001)
Lys-THR
A dipeptide formed from L-lysine and L-threonine residues.
Thr-Gln
C9H17N3O5 (247.11681520000002)
A dipeptide formed from L-threonine and L-glutamine residues.
THR-GGlu
C9H17N3O5 (247.11681520000002)
GGlu-Thr
C9H17N3O5 (247.11681520000002)
CAR 3:1;O2
C10H17NO6 (247.10558220000001)
N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C14H22BNO2 (247.17435020000002)
n-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
C13H18BNO3 (247.13796680000002)
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
C13H18BNO3 (247.13796680000002)
N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C14H22BNO2 (247.17435020000002)
1-(4-carbamimidoyl phenyl)piperidine-4-carboxylicacid
C13H17N3O2 (247.13207020000002)
2-(PIPERAZIN-1-YL)-ACETIC ACID N-(2-PHENYLETHYL)-AMIDE
6-[2-(2-ethyl-4-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
TRANS-2,6-DIFLUORO-4-(4-VINYL-CYCLOHEXYL)-BENZONITRILE
4-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
C13H18BNO3 (247.13796680000002)
ciclonicate
C15H21NO2 (247.15722060000002)
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AC - Nicotinic acid and derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Carbovir
C11H13N5O2 (247.10691980000004)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides C254 - Anti-Infective Agent > C281 - Antiviral Agent
2-chloro-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)acetamide
C11H20ClN2O2 (247.12132300000002)
2-(4-FLUOROPHENYL)-5-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOLE
C13H14FN3O (247.11208459999997)
1H-Indole-1-carboxylic acid, 5-(hydroxyMethyl)-, 1,1-dimethylethyl ester
tert-Butyl 6-(hydroxymethyl)-1H-indole-1-carboxylate
tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate
ethyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-propanoate
5-Acetylpyridine-3-boronic acid pinacol ester
C13H18BNO3 (247.13796680000002)
2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PIPERIDINE HYDROCHLORIDE
ETHANONE, 1-(3,4-DIHYDRO-6,7-DIMETHOXY-1-METHYLENE-2(1H)-ISOQUINOLINYL)-
ETHYL 7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
Ethyl (3R)-3-benzyl-3-piperidinecarboxylate
C15H21NO2 (247.15722060000002)
4-(CYANO-DIMETHYL-METHYL)-2-ETHOXY-BENZOIC ACID METHYL ESTER
5-[butyl(ethyl)amino]-2-nitrobenzonitrile
C13H17N3O2 (247.13207020000002)
4-(dipropylamino)-2-nitrobenzonitrile
C13H17N3O2 (247.13207020000002)
(R)-tert-butyl 2-phenylpyrrolidine-1-carboxylate
C15H21NO2 (247.15722060000002)
3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
4-Propoxy-3-pyrrolidin-1-ylmethyl-benzaldehyde
C15H21NO2 (247.15722060000002)
2-(N-Methylaminomethyl)phenylboronic acid,pinacol ester
C14H22BNO2 (247.17435020000002)
(1S,4S)-4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(propan-2-yl)cyclopent-2-ene-1-carboxylic acid
C15H21NO2 (247.15722060000002)
N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C14H22BNO2 (247.17435020000002)
4-[2-(azepan-1-yl)ethoxy]benzaldehyde
C15H21NO2 (247.15722060000002)
5-(dipropylamino)-2-nitrobenzonitrile
C13H17N3O2 (247.13207020000002)
4-[butyl(ethyl)amino]-2-nitrobenzonitrile
C13H17N3O2 (247.13207020000002)
2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one
C15H21NO2 (247.15722060000002)
(3S)-3-(N-Boc-amino)-4-phenyl-1-butene
C15H21NO2 (247.15722060000002)
6-butyl-2-phenyl-1,3,6,2-dioxazaborocane
C14H22BNO2 (247.17435020000002)
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone
C15H21NO2 (247.15722060000002)
Butidrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
[4-[(cyclopentanecarbonylamino)methyl]phenyl]boronic acid
C13H18BNO3 (247.13796680000002)
3-Fluoro-1,3-piperidinedicarboxylic acid 1-tert-butyl ester
benzyl 2-(dimethylaminomethylidene)-3-oxobutanoate
(S)-Methyl 4-[(tert-butoxycarbonyl)amino]-5-hydroxypentanoate
4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
3-Cyano-4-Fluorophenylboronic Acid, Pinacol Ester
C13H15BFNO2 (247.11798120000003)
[3-(Cyclohexylcarbamoyl)phenyl]boronic acid
C13H18BNO3 (247.13796680000002)
[4-(Cyclohexylcarbamoyl)phenyl]boronic acid
C13H18BNO3 (247.13796680000002)
4-(4-CARBAMOYL-PHENYLCARBAMOYL)-PIPERIDINE
C13H17N3O2 (247.13207020000002)
4-amino-4-(2-carboxyethyl)heptanedioic acid
C10H17NO6 (247.10558220000001)
methyl 3-phenyl-3-(piperidin-1-yl)propanoate
C15H21NO2 (247.15722060000002)
Naxagolide
C15H21NO2 (247.15722060000002)
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Naxagolide ((+)-PHNO; Dopazinol) is a potent dopamine D2 (Dopamine Receptor) agonist. Naxagolide has the potential for the research of parkinson's disease (PD)[1][2].
Y-27632
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002491 - Central Nervous System Agents D004791 - Enzyme Inhibitors
3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C14H22BNO2 (247.17435020000002)
(6-((1-(TERT-BUTYL)-1H-PYRAZOL-5-YL)AMINO)PYRAZIN-2-YL)METHANOL
5-Nitro-3-(piperazin-1-yl)-1H-indazole
C11H13N5O2 (247.10691980000004)
PIPERIDINE-3-CARBOXYLIC ACID (4-CARBAMOYL-PHENYL)-AMIDE
C13H17N3O2 (247.13207020000002)
Parbendazole
C13H17N3O2 (247.13207020000002)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
4-Piperidinecarboxamide,4-(methylamino)-1-(phenylmethyl)-
2-(4-BENZYL-2,2-DIMETHYL-TETRAHYDRO-PYRAN-4-YL)-ETHYLAMINE
2-PROPANAMIDO-7-METHOXY-3,4-DIHYDRONAPHTHALEN-1-(2H)-ONE
(S)-3-(4-ACETYLPHENYL)-4-ISOPROPYLOXAZOLIDIN-2-ONE
2-methyl-N-(4-phenylthiazol-2-yl)propane-1,2-diamine
7-Benzyl-8-hydroxy-1-oxa-7-azaspiro[4.4]nonan-6-one
Benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
1-(adamantane-1-carbonyl)pyrrolidin-2-one
C15H21NO2 (247.15722060000002)
2-Acetylpyridine-4-boronic acid pinacol ester
C13H18BNO3 (247.13796680000002)
methyl 3-(3-phenylpiperidin-3-yl)propanoate
C15H21NO2 (247.15722060000002)
N-(1-acetylpiperidin-4-yl)pyridine-4-carboxamide
C13H17N3O2 (247.13207020000002)
(R)-METHYL 5-OXO-1-((R)-1-PHENYLETHYL)PYRROLIDINE-3-CARBOXYLATE
(1H-PYRROLO[2,3-B]PYRIDIN-5-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
C13H17N3O2 (247.13207020000002)
tert-butyl ((1H-pyrrolo[2,3-b]pyridin-4-yl)methyl)carbamate
C13H17N3O2 (247.13207020000002)
diethyl 2-(1-nitroethyl)butanedioate
C10H17NO6 (247.10558220000001)
2-trans-(Cyclohexylaminomethyl)-1-cyclohexanol hydrochloride
C13H26ClNO (247.17028159999998)
2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C14H22BNO2 (247.17435020000002)
3-(Benzyloxy)-1-oxa-8-azaspiro[4.5]decane
C15H21NO2 (247.15722060000002)
5-METHOXY-2-METHYL-1-PROPYL-1H-INDOLE-3-CARBOXYLIC ACID
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
Ethyl 1-benzyl-4-piperidinecarboxylate
C15H21NO2 (247.15722060000002)
4-Cyano-3-fluorophenylboronic acid pinacol ester
C13H15BFNO2 (247.11798120000003)
1-(3,4-DIMETHYLPHENYLAMINO)CYCLOHEXANECARBOXYLICACID
C15H21NO2 (247.15722060000002)
3-HYDROXY-3-(2-OXO-PROPYL)-1-PROPYL-1,3-DIHYDRO-INDOL-2-ONE
1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid
1-(Cyclohexylmethyl)pyrrolidine-2-carboxylic acid hydrochloride
1-(3,5-DIMETHYLPHENYLAMINO)CYCLOHEXANECARBOXYLICACID
C15H21NO2 (247.15722060000002)
2-Methyl-2-morpholino-1-(p-tolyl)propan-1-one
C15H21NO2 (247.15722060000002)
2-(4-METHYLPHENYL)-2-PHENYLETHYLAMINE HYDROCHLORIDE
1-(4-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid
DI-TERT-BUTYL(METHYL)PHOSPHONIUM TETRAFLUOROBORATE
5-[4-(TERT-BUTYL)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
6-isopropylpyridine-3-boronic acid pinacol ester
C14H22BNO2 (247.17435020000002)
6-FORMYL-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Ethyl 1-benzyl-3-piperidinecarboxylate
C15H21NO2 (247.15722060000002)
N-tert-Butoxycarbonyl-L-aspartic acid 1-methyl ester
C10H17NO6 (247.10558220000001)
6-Acetylpyridine-3-boronic acid pinacol ester
C13H18BNO3 (247.13796680000002)
METHYL 4-(DIMETHYLAMINO)BICYCLO[2.2.2]OCTANE-1-CARBOXYLATE HYDROCHLORIDE
(3-endo)-N-(2-Nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
C13H17N3O2 (247.13207020000002)
ethyl 4-benzylpiperidine-4-carboxylate
C15H21NO2 (247.15722060000002)
D-ASPARTIC ACID, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-, 4-METHYL ESTER
C10H17NO6 (247.10558220000001)
NU 2058
NU2058 (O6-(Cyclohexylmethyl)guanine) is a potent, competitive and guanine-based CDK inhibitor with IC50s of 17 μM and 26 μM for CDK2 and CDK1. NU2058 has anti-cancer activity.
Ethyl (3S)-3-benzyl-3-piperidinecarboxylate
C15H21NO2 (247.15722060000002)
Methyl 4-(5-amino-1-methyl-1H-benzimidazol-2-yl)butanoate
C13H17N3O2 (247.13207020000002)
tert-butyl 3-aMino-6-Methyl-1H-indazole-1-carboxylate
C13H17N3O2 (247.13207020000002)
cis-1-(tert-butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
6,7-Dihydro-N-methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-amine
METHYL 1-BENZYL-2-PIPERIDINEACETATE
C15H21NO2 (247.15722060000002)
3-(1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
C13H17N3O2 (247.13207020000002)
(2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-FLUOROPIPERIDINE-2-CARBOXYLIC ACID
4-aminocarbonylphenylboronic acid, pinacol ester
C13H18BNO3 (247.13796680000002)
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
3-Aminocarbonylphenylboronic acid, pinacol ester
C13H18BNO3 (247.13796680000002)
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile
C12H18BN3O2 (247.14919980000002)
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-[1,2,5]OXADIAZOLO[3,4-B]PYRIDINE
2-Cyano-3-fluorophenylboronic acid pinacol ester
C13H15BFNO2 (247.11798120000003)
2-Cyano-4-fluorophenylboronic acid pinacol ester
C13H15BFNO2 (247.11798120000003)
5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-amine
C13H17N3O2 (247.13207020000002)
n-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
C13H18BNO3 (247.13796680000002)
6-[3-(TETRAHYDRO-PYRAN-2-YLOXY)-PROPENYL]-PYRIDINE-2-CARBALDEHYDE
3-Ethyl-3-(3-hydroxyphenyl)-1-methyl-2-azepanone
C15H21NO2 (247.15722060000002)
ETHYL1-BENZYLPIPERIDINE-2-CARBOXYLATE
C15H21NO2 (247.15722060000002)
3-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
C13H18BNO3 (247.13796680000002)
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid
C10H17NO6 (247.10558220000001)
CX546
CX546 is a first-generation and selective benzamide-type positive AMPAR modulator. CX546 is a prototypical ampakine agent and has antipsychotic effects[1][2].
2-((TERT-BUTOXYCARBONYL)AMINO)-4-METHOXY-4-OXOBUTANOIC ACID
C10H17NO6 (247.10558220000001)
5-[2-(Cbz-amino)ethyl]-1H-tetrazole
C11H13N5O2 (247.10691980000004)
(8-Phenyl-1,4-dioxaspiro[4.5]dec-8-yl)methanamine
C15H21NO2 (247.15722060000002)
4-(1-Cyanocyclobutylamino)-2-fluoro-n-methylbenzamide
C13H14FN3O (247.11208459999997)
N-{(4S)-4-Amino-5-[(2-aminoethyl)amino]pentyl}-N-nitroguanidine
C8H21N7O2 (247.17566460000003)
7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
4-(1-aminoethyl)-N-pyridin-4-yl-1-cyclohexanecarboxamide
4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
2-[(2E)-2-(1,4-dimethylquinolin-2-ylidene)ethylidene]propanedinitrile
2-[[2-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol
Ala-Ala-Ser
C9H17N3O5 (247.11681520000002)
A tripeptide composed of two L-alanyl units and an L-serine joined by peptide linkages.
2-Acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester
C10H17NO6 (247.10558220000001)
(4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
Methyl 4-methyl-4-nitroso-2-trimethylsiloxy-pentanoate
6-(2-Phenoxyethoxy)-1,3,5-Triazine-2,4-Diamine
C11H13N5O2 (247.10691980000004)
Ketobemidone
C15H21NO2 (247.15722060000002)
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives 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 Same as: D08100
Nemerol
C15H21NO2 (247.15722060000002)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AB - Phenylpiperidine derivatives 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
2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)acetamide
C13H17N3O2 (247.13207020000002)
[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]-trimethylazanium
1-Deoxy-11-oxopentalenate
A 5-oxo monocarboxylic acid anion that is the conjugate base of 1-deoxy-11-oxopentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(3S)-3-[(3R)-3-hydroxybutanoyl]oxy-4-(trimethylazaniumyl)butanoate
(2E,4E,8Z,10E)-N-Isobutyl-2,4,8,10-dodecatetrenamide
1-[(E)-(2,4-dimethylphenyl)methylideneamino]-3-prop-2-enylthiourea
(2E)-1-(4-methoxyphenyl)-3-(morpholin-4-yl)prop-2-en-1-one
N-cyclohexyl-6-methyl-4-thieno[2,3-d]pyrimidinamine
alpha-Carboxy-N,N,N-trimethyl-1H-indole-3-ethan-1-aminium
ethyl 1-[2-(dibenzylamino)ethyl]-5-methoxy-1H-indole-2-carboxylate
C13H17N3O2 (247.13207020000002)
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoate
(4R)-4-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxypentanoate
(4R)-3-(Tert-butoxycarbonyl)-4-hydroxymethyl-2,2-dimethyl-1,3-thiazolidine
5-(3-Hydroxy-3,4,4-trimethyl-1-pentynyl)pyridine-2-carboxylic acid
(3R)-4-(Tert-butylthio)-3-ethoxycarbonylamino-2-butanone
semustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
O-Malonyl-L-carnitine
C10H17NO6 (247.10558220000001)
An O-acyl-L-carnitine in which the acyl group is specified as malonyl.
8-OH-DPAT
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists 8-OH-DPAT is a potent and selective 5-HT agonist, with a pIC50 of 8.19 for 5-HT1A and a Ki of 466 nM for 5-HT7; 8-OH-DPAT weakly binds to 5-HT1B (pIC50, 5.42), 5-HT (pIC50 <5).
(R)-3-hydroxybutyrylcarnitine
An O-hydroxybutyryl-L-carnitine in which the acyl group is specified as 3-hydroxybutyryl.
beta-sanshool
An enamide obtained by the fromal condensation of 2-methylpropanamine with dodeca-2,6,8,10-tetraenoic acid (the 2E,6E,8E,10E stereoisomer). Isolated from Zanthoxylum piperitum, it exhibits inhibitory activity against acyl-CoA:cholesterol acyltransferase.
O-malonylcarnitine
C10H17NO6 (247.10558220000001)
An O-acylcarnitine having malonyl as the acyl substituent.
3-hydroxybutyrylcarnitine
An O-acylcarnitine having 3-hydroxybutyryl as the acyl substituent.
(3S)-3-[(2-carboxyacetyl)oxy]-4-(trimethylazaniumyl)butanoate
C10H17NO6 (247.10558220000001)
O-hydroxybutyryl-L-carnitine
An O-acyl-L-carnitine that is L-carnitine having a hydroxybutyryl group as the acyl substituent in which the positions of the hydroxy group is unspecified.
oscr#9(1-)
A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#9. The conjugate base of oscr#9 and the major species at pH 7.3.
S-octanoyl-L-cysteine
An L-cysteine derivative obtained by formal condensation of the carboxy group of octanoic acid with the side-chain thiol group of L-cysteine.
UBCS039
UBCS039 is the first synthetic, specific Sirtuin 6 (SIRT6) activator, inducing autophagy in human tumor cells, with an EC50 of 38 μM[1].
(1s,2s,4s,8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
(1r,2r,10s,11r,13r)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-ol
3-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-2-ol
4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
(2e,4e)-n-(2-methylpropyl)dodeca-2,4,8,10-tetraenimidic acid
6-hydroxy-2-(3-hydroxy-3-methylbutyl)-3h-quinolin-4-one
(8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
1-(2h-1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)ethanone
(2e)-n-(2-methylpropyl)dodeca-2,4,8,10-tetraenimidic acid
(2e,4e,10e)-n-(2-methylpropyl)dodeca-2,4,8,10-tetraenimidic acid
(5r)-5-[(4s)-8-hydroxy-1h,4h,5h,6h-pyrrolo[2,3-c]azepin-4-yl]-2-imino-1,5-dihydroimidazol-4-ol
C11H13N5O2 (247.10691980000004)
(4s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h-cyclohexa[f]indole-2,9a-diol
C15H21NO2 (247.15722060000002)