Exact Mass: 317.1739328
Exact Mass Matches: 317.1739328
Found 500 metabolites which its exact mass value is equals to given mass value 317.1739328,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lycorenin
Lycorenine is an alkaloid. Lycorenine is a natural product found in Lycoris radiata, Narcissus munozii-garmendiae, and Hymenocallis littoralis with data available.
Triticonazole
C17H20ClN3O (317.12948200000005)
Nateglinide
Nateglinide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the meglitinide class of short-acting insulin secretagogues, which act by binding to cells of the pancreas to stimulate insulin release. Nateglinide is an amino acid derivative that induces an early insulin response to meals decreasing postprandial blood glucose levels. It should only be taken with meals and meal-time doses should be skipped with any skipped meal. Approximately one month of therapy is required before a decrease in fasting blood glucose is seen. Meglitnides may have a neutral effect on weight or cause a slight increase in weight. The average weight gain caused by meglitinides appears to be lower than that caused by sulfonylureas and insulin and appears to occur only in those naive to oral antidiabetic agents. Due to their mechanism of action, meglitinides may cause hypoglycemia although the risk is thought to be lower than that of sulfonylureas since their action is dependent on the presence of glucose. In addition to reducing postprandial and fasting blood glucose, meglitnides have been shown to decrease glycosylated hemoglobin (HbA1c) levels, which are reflective of the last 8-10 weeks of glucose control. Meglitinides appear to be more effective at lowering postprandial blood glucose than metformin, sulfonylureas and thiazolidinediones. Nateglinide is extensively metabolized in the liver and excreted in urine (83\\%) and feces (10\\%). The major metabolites possess less activity than the parent compound. One minor metabolite, the isoprene, has the same potency as its parent compound. C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98079 - Meglitinide Antidiabetic Agent A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins D007004 - Hypoglycemic Agents
Butenafine
Butenafine is only found in individuals that have used or taken this drug. It is a synthetic benzylamine antifungal agent.Although the mechanism of action has not been fully established, it has been suggested that butenafine, like allylamines, interferes with sterol biosynthesis (especially ergosterol) by inhibiting squalene monooxygenase, an enzyme responsible for converting squalene to 2,3-oxydo squalene. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Blockage of squalene monooxygenase also leads to a subsequent accumulation of squalene. When a high concentration of squalene is reached, it is thought to have an effect of directly kill fungal cells. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Amaryllisine
An isoquinoline alkaloid that is 3,4,4a,5,6,10b-hexahydro-5,10b-ethanophenanthridin-9-ol bearing three additional methoxy substituents at positions 3, 7 and 8.
Haplophyllidine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
Tetrabenazine
A drug formerly used as an antipsychotic but now used primarily in the treatment of various movement disorders including tardive dyskinesia. Tetrabenazine blocks uptake into adrenergic storage vesicles and has been used as a high affinity label for the vesicle transport system. [PubChem] D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators N - Nervous system Same as: D08575
Cocaethylene
Cocaethylene is a recreational drug with stimulant, euphoriant, anorectic, sympathomimetic and local anesthetic properties. Three monoamine neurotransmitters known as serotonin (5-HT), norepinephrine (NE), and dopamine (DA) play an important role in cocaethylenes action. Cocaethylene increases the level of serotonergic, noradrenergic, and dopaminergic neurotransmission by inhibiting the action of the serotonin transporter (SERT), norepinephrine transporter (NET), and dopamine transporter (DAT) which makes cocaethylene a serotonin-norepinephrine-dopamine reuptake inhibitor (SNDRI).[Note 1]; Normally cocaines metabolism produces two major and biologically inactive metabolites, benzoylecogonine and ecgonine methyl ester. Carboxylesterase is an important part of cocaines metabolism because it acts as the catalyst for the hydrolysis of cocaine which produces the inactive metabolites. If ethanol is present during the metabolism of cocaine, a portion of the cocaine undergoes transesterification with ethanol, instead of undergoing hydrolysis with water, which results in cocaethylene.
Pandamarilactonine A
Pandamarilactonine D is an alkaloid from Pandanus amaryllifolius. Pandamarilactonine D is a food flavouring. Alkaloid from Pandanus amaryllifolius. Food flavouring
Leucyl-Tryptophan
Leucyl-Tryptophan is a dipeptide composed of leucine and tryptophan. 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.
Pandamarilactone 1
Pandamarilactone 1 is an alkaloid from leaves of Pandanus amaryllifolius. Pandamarilactone 1 is a food flavouring. Alkaloid from leaves of Pandanus amaryllifolius. Food flavouring
Pandanamine
Pandanamine is a food flavouring. Pandanamine is an alkaloid from Pandanus amaryllifoliu Food flavouring. Alkaloid from Pandanus amaryllifolius
Tryptophyl-Isoleucine
Tryptophyl-Isoleucine is a dipeptide composed of tryptophan and isoleucine. 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.
Isoleucyl-Tryptophan
Isoleucyl-Tryptophan is a dipeptide composed of isoleucine and tryptophan. 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.
Arbutamine
Arbutamine, administered through a closed-loop, computer-controlled drug-delivery system, is indicated to elicit acute cardiovascular responses, similar to those produced by exercise, in order to aid in diagnosing the presence or absence of coronary artery disease in patients who cannot exercise adequately. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Hydroxyprolyl-Tryptophan
Hydroxyprolyl-Tryptophan is a dipeptide composed of hydroxyproline and tryptophan. 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.
Tryptophylhydroxyproline
Tryptophylhydroxyproline is a dipeptide composed of tryptophan and hydroxyproline. 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.
Tryptophyl-Leucine
Tryptophyl-Leucine is a dipeptide composed of tryptophan and leucine. 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.
alpha-oxycodol
alpha-oxycodol is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia)
beta-oxycodol
beta-oxycodol is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia)
Suberoyl-L-carnitine
Suberoyl-L-carnitine is an acylcarnitine. More specifically, it is an suberoic aicd 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. Suberoyl-L-carnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Suberoyl-L-carnitine 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].
3-methylheptanedioylcarnitine
3-methylheptanedioylcarnitine is an acylcarnitine. More specifically, it is an 3-methylheptanedioic 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-methylheptanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-methylheptanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2,4-dimethylhexanedioylcarnitine
2,4-dimethylhexanedioylcarnitine is an acylcarnitine. More specifically, it is an 2,4-dimethylhexanedioic 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. 2,4-dimethylhexanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2,4-dimethylhexanedioylcarnitine 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].
Octanedioylcarnitine
Octanedioylcarnitine is an acylcarnitine. More specifically, it is an octanedioic 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. octanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine octanedioylcarnitine 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. In particular octanedioylcarnitine is elevated in the blood or plasma of individuals with pulmonary arterial hypertension (PMID: 32108049) and type 2 diabetes mellitus (PMID: 19369366). Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2-[5-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole
C20H19N3O (317.15280440000004)
2-(4-Morpholino)ethyl-1-phenylcyclohexane-1-carboxylate
Puquitinib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Triticonazole
C17H20ClN3O (317.12948200000005)
4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-(3,3-diaminoprop-2-enylidene)-1-methylpyrrole-2-carboxamide
C14H19N7O2 (317.16001539999996)
Ac-(E)-6-[2-(1-Hydroxybutyl)-4-methylphenyl]-5-hexenamide
8-(3-Methyl-2,5-dihydro-2-oxofuran-5-yl)-3-methyl-2,3,5,6,7,9a-hexahydrospiro[1H-pyrrolo[1,2-a]azepine-9(8H),5(2H)-furan]-2-one
(-)-7,11b-dimethoxy-3,3-dimethyl-(4ar,11bc)-2,3,4a,5,6,11b-hexahydro-1H-furo[2,3-b]pyrano[2,3-h]quinoline|Anhydroperforin|anhydroperforine
methyl 4-Amino-6-[(1R,2S,4aR,8aR)-1,2,4a,5,6,7, 8,8a-octahydro-2-methylnaphthalen-1-yl]-2-oxo-2H-pyran-3-carboxylate|solanapyrone N
(6R)-3α-phenylacetoxy-6beta-acetoxytropane|6beta-acetoxy-3alpha-phenylacetoxytropane|Tropane 3alpha,6beta-diol 3-phenylacetate 6-acetate|tropane-3alpha,6beta-diol 3-phenylacetate 6-acetate
9,10-dimethoxy-1-methyl-6,7-seco-lycoran-4(12)-en-7-al
4,6,8-trimethoxy-1-methyl-3-(3-methyl-but-2-enyl)-1H-quinolin-2-one|4,6,8-trimethoxy-N-methyl-3-(3-methylbut-2-enyl)-2-quinolone
(S)-Cyclo(arginyldehydrotyrosyl)|cyclo-(L-Arg-dehydrotyrosine)
C15H19N5O3 (317.14878239999996)
nortropane-3alpha,7beta-diol 7-benzoate 3-(2-methylpropanoate)
4,5-Dihydro-2-methoxy-piperin|4,5-Dihydro-Wisanine|4,5-Dihydrowisanin|Deltaalpha,beta-Dihydrowasanin|Deltaalphabeta-dihydrowisanine|N-piperidyl-5-(2-methoxy-4,5-methylenedioxyphenyl)-2-pentenamide
(2E,4E)-N-[(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-decadienamide
A natural product found in Piper boehmeriaefolium.
Nateglinide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98079 - Meglitinide Antidiabetic Agent A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins D007004 - Hypoglycemic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3289
C18H23NO4_1H-Pyrrolo[3,2,1-de]phenanthridin-1-ol, 2,4,5,7,11b,11c-hexahydro-2,9,10-trimethoxy-, (1S,2S,11bS,11cS)
C18H23NO4_Furo[2,3-b]quinolin-7-ol, 5,6,7,8-tetrahydro-4,8-dimethoxy-8-(3-methyl-2-buten-1-yl)
Cocaethylene
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Ala Gly Gly Asn
Gly Ala Gly Asn
Gly Gly Ala Asn
Gly Gly Asn Ala
Gly Asn Gly Ala
1,2-Benzenediol, 4-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-, (3S-trans)-
Asn Gly Gly Ala
Arbutamine
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Ile-TRP
A dipeptide formed from L-isoleucine and L-tryptophan residues.
Leu-TRP
A dipeptide formed from L-leucine and L-tryptophan residues.
TRP-Leu
A dipeptide formed from L-tryptophan and L-leucine residues.
Pandamarilactonine A
Pandanamine
Pandamarilactone 1
4-Aza-5a-androstan-1-ene-3-one-17b-carboxylic acid
4-CHLORO-5-METHYL-N-(3-(4-METHYLPIPERAZIN-1-YL)PHENYL)PYRIMIDIN-2-AMINE
6-Benzyl-2-phenyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
C20H19N3O (317.15280440000004)
4-(Morpholine-4-carbonyl)phenylboronic Acid Pinacol Ester
4-METHYL-3-PYRROLIDIN-1-YLMETHYL-PIPERAZINE-1-CARBOXYLICACIDBENZYLESTER
C18H27N3O2 (317.21031619999997)
methyl 4-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylate
6-Ethoxy-5-(trifluoromethyl)pyridine-3-boronic acid pinacol ester
C14H19BF3NO3 (317.1410010000001)
sodium N-(2-carboxyethyl)-N-(2-ethylhexyl)-beta-alaninate
6-(DIMETHOXYMETHYL)-3-METHYL-3H-IMIDAZO[4,5-B]PYRIDINE
Diphenylpyraline hydrochloride
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Diphenylpyraline hydrochloride is a potent histamine H1?receptor antagonist. Diphenylpyraline hydrochloride acts as an orally active antihistamine agent?with antimuscarinic and antiallergic effects. Diphenylpyraline hydrochloride can be used for the relief of allergic conditions including rhinitis and hay fever, and in pruritic skin disorders in vivo.[1]
tert-butyl 3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
2-TERT-BUTYL-6-(5-CHLORO-1,3-DIHYDRO-BENZOTRIAZOL-2-YL)-4-METHYL-PHENOL
C17H20ClN3O (317.12948200000005)
3-(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol
4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)MORPHOLINE
N-cyclohexyl-2-nitro-4-((piperidin-1-yl)methyl)benzenamine
C18H27N3O2 (317.21031619999997)
1-Benzyl 3-methyl 3-allyl-1,3-piperidinedicarboxylate
MORPHOLINO(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANONE
N,N-diethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
N-tert-Butyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
2H-Pyrrol-2-one, 4-acetyl-5-cyclohexyl-1-(4-fluorophenyl)-1,5-dihydro-3-hydroxy-, (5R)-
2H-Pyrrol-2-one, 4-acetyl-5-cyclohexyl-1-(3-fluorophenyl)-1,5-dihydro-3-hydroxy-
Phentolamine hydrochloride
C17H20ClN3O (317.12948200000005)
Phentolamine hydrochloride is an orally active adrenergic α receptor-blocking agent[1].
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)[4-(2-fluorophenyl)-1-piperazinyl]
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)[4-(4-fluorophenyl)-1-piperazinyl]
2H-Pyrrol-2-one, 4-acetyl-5-cyclohexyl-1-(2-fluorophenyl)-1,5-dihydro-3-hydroxy-
4-CYANO-3-FLUOROPHENYL TRANS-4-PENTYLCYCLOHEXANECARBOXYLATE
N-(2-Methoxyphenyl)-2-(di-t-butylphosphino)pyrrole
C19H28NOP (317.19084080000005)
2-(3,5-DIMETHYL-BIPHENYL-3-YLAMINO)-BENZOIC ACID
C21H19NO2 (317.14157140000003)
1,3-DI-BOC-2-(CARBOXYMETHYL)GUANIDINE
C13H23N3O6 (317.15867779999996)
3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
tert-butyl N-[1-(2-cyanoethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
N,N-DIETHYL-2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETAMIDE
(7-amino-2-methylphenoxazin-3-ylidene)-diethylazanium,chloride
C17H20ClN3O (317.12948200000005)
(4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid
ETHYL 3-((4-ACETAMIDO-3-ETHOXYPHENYL)AMINO)-2-CYANOACRYLATE
N-Benzyl-2-methoxy-N-phenylbenzamide
C21H19NO2 (317.14157140000003)
2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
C14H19BF3NO3 (317.1410010000001)
tert-Butyl 4-oxospiro[chroman-2,4-piperidine]-1-carboxylate
4-(2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-(2-HYDROXY-2,2-DIPHENYLETHYL)BENZENECARBOXAMIDE
C21H19NO2 (317.14157140000003)
1-(2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ETHYL)PYRROLIDINE
Iron(III) 2-ethylhexano-isopropoxide, 10 w/v in isopropanol
ETHYL 3-(3-(2-ETHOXY-2-OXOETHYL)-1-METHYL-1H-INDOL-2-YL)PROPANOATE
4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)Morpholine
2-[(4-phenylpiperidin-1-yl)methyl]quinolin-6-amine
Denopamine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents Denopamine ((R)-(-)-Denopamine) is an orally active, selective β1-adrenergic agonist. Denopamine prolongs survival in a murine model of congestive heart failure induced by viral myocarditis: suppression of tumor necrosis factor-α production in the heart. Cardiovascular effects[1].
N-Benzyl-4-(benzylamino)picolinamide
C20H19N3O (317.15280440000004)
obatoclax
C20H19N3O (317.15280440000004)
C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent > C192025 - Bcl-2 Family Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C159200 - BCL-2 Inhibitor D004791 - Enzyme Inhibitors
(3R,11bR)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
N - Nervous system
2-(4-Morpholino)ethyl-1-phenylcyclohexane-1-carboxylate
3-methyl-5-[4-[2-(4-methyl-5-oxo-2H-furan-2-yl)pyrrolidin-1-yl]butylidene]furan-2-one
(3S,11bS)-tetrabenazine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators C471 - Enzyme Inhibitor
Terodiline hydrochloride
C20H28ClN (317.19101580000006)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
Isoleucyl-Tryptophan
BNC210 (H-Ile-Trp-OH) is an orally active α7 nAChR negative alteration modulator (NAM) with no apparent side effects. BNC210 exhibits acute anxiolytic activity in rodent models of anxiety. BNC210 can be used in studies of generalised anxiety disorders[1].
2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid
Mecloxamine
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-decahydroisoquinoline-3-carboxylic acid
Alverine hydrochloride
C20H28ClN (317.19101580000006)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
(E)-2-Benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one
O-Benzoyl-N,N-dibenzylhydroxylamine
C21H19NO2 (317.14157140000003)
N-biphenyl-2-yl-N-(4,6-dimethylpyrimidin-2-yl)guanidine
1-Tert-butyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone
1-Adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
5-Methyl-3-[2-(4-morpholinyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
4,8-Dimethoxy-8-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-furo[2,3-b]quinolin-7-ol
Austedo
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system
1-(Phenylmethyl)cyclopentyl[(1S)-1-formylpentyl]carbamate
TETRABENAZINE
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators N - Nervous system Same as: D08575
ent-7alpha-hydroxykaur-16-en-19-oate
C20H29O3- (317.21165840000003)
15-oxo-ETE(1-)
C20H29O3- (317.21165840000003)
A polyunsaturated oxo fatty acid anion that is the conjugate base of 15-oxo-ETE.
(5Z,9E,11Z,14Z)-8-oxoicosa-5,9,11,14-tetraenoate
C20H29O3- (317.21165840000003)
12-oxo-ETE(1-)
C20H29O3- (317.21165840000003)
A oxo fatty acid anion that is the conjugate base of 12-oxo-ETE, obtained by deprotonation of the carboxy group.
(11S,16S)-ent-kauran-11,16-epoxy-19-oate
C20H29O3- (317.21165840000003)
(2S,3S,7R)-2,3-diamino-8-(1-carbamoyl-2-iminoimidazolidin-4-yl)-7-hydroxyoctanoate
C12H25N6O4+ (317.19371900000004)
(8Z,11Z,14Z,17Z)-3-oxo-icosa-8,11,14,17-tetraenoate
C20H29O3- (317.21165840000003)
2-[(11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetaldehyde
4-[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol
(2Z)-2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
C20H19N3O (317.15280440000004)
(4aS,7R,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
leukotriene A4(1-)
C20H29O3- (317.21165840000003)
The leukotriene anion that is the conjugate base of leukotriene A4 arising from deprotonation of the carboxylic acid group. Major microspecies at pH 7.3.
N-(4-chlorophenyl)-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide
C17H20ClN3O (317.12948200000005)
Leu-Val-Ser
A tripeptide composed of L-leucine, L-valine and L-serine joined in sequence by peptide linkages.
Leu-Ala-Asp
C13H23N3O6 (317.15867779999996)
A tripeptide composed of L-leucine L-alanine, and L-aspartic acid joined in sequence by peptide linkages.
Aculene B
A carboxylic ester resulting from the formal condensation of the hydroxy group of aculene D with the carboxylic acid group of L-proline. It is a sesquiterpenoid isolated from the fungus Aspergillus aculeatus.
1,2-Benzenediol, 4-(((3S,4R)-4-(4-fluorophenyl)-3-piperidinyl)methoxy)-
3,5-Diacetyl-1,4-diphenyl-1,4-dihydropyridine
C21H19NO2 (317.14157140000003)
5-oxo-ETE(1-)
C20H29O3- (317.21165840000003)
A long-chain fatty acid anion that is the conjugate base of 5-oxo-ETE, obtained by deprotonation of the carboxy group.
1-(2-Phenylethyl)-3-[(4-propylcyclohexylidene)amino]thiourea
15(R)-Hepe(1-)
C20H29O3- (317.21165840000003)
An icosanoid anion that is the conjugate base of 15(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
(5Z,8Z,11Z,14Z,16E)-18-hydroxyicosa-5,8,11,14,16-pentaenoate
C20H29O3- (317.21165840000003)
5-(3-hydroxyphenyl)-N-[2-(4-morpholinyl)ethyl]-3-isoxazolecarboxamide
2-phenyl-N-(2-(pyrrolidin-1-yl)ethyl)quinolin-4-amine
20-Oxoarachidonate
C20H29O3- (317.21165840000003)
A polyunsaturated fatty acid anion that is the conjugate base of 20-oxoarachidonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carbohydrazide
eoxin A4(1-)
C20H29O3- (317.21165840000003)
A polyunsaturated fatty acid anion that is the conjugate base of eoxin A4, obtained by deprotonation of the carboxy group; major species at pH 7.3.
17(S),18(R)-EETeTr(1-)
C20H29O3- (317.21165840000003)
A 17,18-EETeTr(1-) in which the epoxy group has (17S,18R)-configuration.
3-[5-(4-Fluorophenyl)-1-(2-oxolanylmethyl)-2-pyrrolyl]propanoic acid
11-oxo-ETE(1-)
C20H29O3- (317.21165840000003)
A polyunsaturated oxo fatty acid anion that is the conjugate base of 11-oxo-ETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
17,18-EETeTr(1-)
C20H29O3- (317.21165840000003)
A polyunsaturated fatty acid anion that is the conjugate base of 17,18-EETeTr, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoate
C20H29O3- (317.21165840000003)
(5Z,8Z,11Z,14Z,17Z)-20-hydroxyicosa-5,8,11,14,17-pentaenoate
C20H29O3- (317.21165840000003)
11(R)-Hepe(1-)
C20H29O3- (317.21165840000003)
An icosanoid anion that is the conjugate base of 11(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
(5Z,8Z,11Z,14Z,17Z)-19-hydroxyicosa-5,8,11,14,17-pentaenoate
C20H29O3- (317.21165840000003)
18(S)-Hepe(1-)
C20H29O3- (317.21165840000003)
An 18-HEPE(1-) that is the conjugate base of 18(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
15(S)-Hepe(1-)
C20H29O3- (317.21165840000003)
A HEPE(1-) that is the conjugate base of 15(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
17(R),18(S)-EETeTr(1-)
C20H29O3- (317.21165840000003)
A 17,18-EETeTr(1-) in which the epoxy group has (17R,18S)-configuration.
N-[2-(1-cyclohexenyl)ethyl]-3-[(4-methylphenyl)methylthio]propanamide
1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
C14H19N7O2 (317.16001539999996)
3-hydroxy-6,7-dimethyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
8,9-epoxy-(5Z,11Z,14Z,17Z)-eicosatetraenoate
C20H29O3- (317.21165840000003)
N-benzyl-4-[(2E)-2-benzylidenehydrazinyl]-6-methylpyrimidin-2-amine
(5Z)-7-{(2R,3Z)-3-[(2Z,5Z)-undeca-2,5-dien-1-ylidene]oxiran-2-yl}hept-5-enoate
C20H29O3- (317.21165840000003)
14,15-Epoxy-(5Z,8Z,11Z,17Z)-eicosatetraenoate
C20H29O3- (317.21165840000003)
(5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoate
C20H29O3- (317.21165840000003)
11,12-epoxy-(5Z,8Z,14Z,17Z)-eicosatetraenoate
C20H29O3- (317.21165840000003)
(2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oate
A steroid acid anion that is the conjugate base of (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. A meta-cleavage metabolite in the estrogen degradation pathway.
(1R,9S,10S,11S)-N-(cyclopropylmethyl)-10-(hydroxymethyl)-12-methyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-N-(cyclopropylmethyl)-10-(hydroxymethyl)-12-methyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(5Z,7E,11Z,14Z)-9-oxoicosa-5,7,11,14-tetraenoate
C20H29O3- (317.21165840000003)
10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]decanoate
(5Z,7E,11Z,14Z,17Z)-9-hydroxyicosa-5,7,11,14,17-pentaenoate
C20H29O3- (317.21165840000003)
9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxononanoate
C15H25O7- (317.16002000000003)
4-Hydroxy-all-trans-13,14-dihydroretinoate
C20H29O3- (317.21165840000003)
(8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxononanoate
C15H25O7- (317.16002000000003)
(9R)-9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxydecanoate
2-Butoxy-4-quinolinecarboxylic acid trimethylsilyl ester
N-Benzyl-3-cyclohexaencarbonyloxy-2,2-dimethylpropanamide
butenafine
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
O-suberoylcarnitine
An O-acylcarnitine having suberoyl (7-carboxyheptanoyl) as the acyl substituent.
19-HEPE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 19-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
pyranonigrin G
A member of the class of pyranopyrroles with formula C18H23NO4, originally isolated from Aspergillus niger.
(5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoate
An EpETE(1-) that is the conjugate base of (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoate
An EpETE(1-) that is the conjugate base of (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(3R)-3-[(7-Carboxyheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate
9-HEPE(1-)
A HEPE(1-) that is the conjugate base of 9-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
8-oxo-ETE(1-)
An unsaturated fatty acid anion that is the conjugate base of 8-KETE, obtained by deprotonation of the carboxy group.
5-HEPE(1-)
An icosanoid anion that is the conjugate base of 5-HEPE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
18(R)-HEPE(1-)
An icosanoid anion that is the conjugate base of 18(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
18-HEPE(1-)
An icosanoid anion that is the conjugate base of 18-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
oscr#16(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#16, obtained by deprotonation of the carboxy group; major species at pH 7.3.
20-HEPE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 20-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
12-HEPE(1-)
A HEPE(1-) that is the conjugate base of 12-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoate
An EpETE(1-) that is the conjugate base of (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,8Z,11Z,17Z)-14,15-Epoxyicosatetraenoate
An EpETE(1-) that is the conjugate base of (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.