Exact Mass: 309.1688478
Exact Mass Matches: 309.1688478
Found 491 metabolites which its exact mass value is equals to given mass value 309.1688478,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Methadone
A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of morphine. It also has a depressant action on the cough center and may be given to control intractable cough associated with terminal lung cancer. Methadone is also used as part of the treatment of dependence on opioid drugs, although prolonged use of methadone itself may result in dependence. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3) CONFIDENCE standard compound; INTERNAL_ID 513; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8112; ORIGINAL_PRECURSOR_SCAN_NO 8110 CONFIDENCE standard compound; INTERNAL_ID 513; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8059; ORIGINAL_PRECURSOR_SCAN_NO 8057 CONFIDENCE standard compound; INTERNAL_ID 513; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8114; ORIGINAL_PRECURSOR_SCAN_NO 8112 CONFIDENCE standard compound; INTERNAL_ID 513; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8021; ORIGINAL_PRECURSOR_SCAN_NO 8016 CONFIDENCE standard compound; INTERNAL_ID 513; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8067; ORIGINAL_PRECURSOR_SCAN_NO 8064 CONFIDENCE standard compound; INTERNAL_ID 513; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8100; ORIGINAL_PRECURSOR_SCAN_NO 8098 N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 2828 CONFIDENCE standard compound; INTERNAL_ID 1628
Fluperlapine
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 C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Diphenidol
Diphenidol is only found in individuals that have used or taken this drug. It is an antiemetic agent used in the treatment of vomiting and vertigo. Diphenidol overdose may result in serious toxicity in children.The mechanism by which diphenidol exerts its antiemetic and antivertigo effects is not precisely known. It is thought to diminish vestibular stimulation and depress labyrinthine function and as an antimuscarinic agent. An action on the medullary chemoreceptive trigger zone may also be involved in the antiemetic effect. Diphenidol has no significant sedative, tranquilizing, or antihistaminic action. It has a weak peripheral anticholinergic effect. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
Metipranolol
Metipranolol is only found in individuals that have used or taken this drug. It is a beta-adrenergic antagonist effective for both beta-1 and beta-2 receptors. It is used as an antiarrhythmic, antihypertensive, and antiglaucoma agent. [PubChem]Although it is known that metipranolol binds the beta1 and beta2 adrenergic receptors, the mechanism of metipranolols action is not known. It has no significant intrinsic sympathomimetic activity, and has only weak local anesthetic (membrane-stabilizing) and myocardial depressant activity. It appears that the ophthalmic beta-adrenergic blocking agents reduce aqueous humor production, as demonstrated by tonography and fluorophotometry. A slight increase in aqueous humor outflow may be an additional mechanism. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Metipranolol is a nonselective and orally active β-adrenergic receptor antagonist. Metipranolol can be used for hypertension and glaucoma research[1][2].
ISOPROPALIN
CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10647; ORIGINAL_PRECURSOR_SCAN_NO 10642 CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10600; ORIGINAL_PRECURSOR_SCAN_NO 10598 CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10624; ORIGINAL_PRECURSOR_SCAN_NO 10622 CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10736; ORIGINAL_PRECURSOR_SCAN_NO 10734 CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10608; ORIGINAL_PRECURSOR_SCAN_NO 10605
Nadolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3072 Nadolol (SQ-11725) is a non-selective and orally active β-adrenergic receptors blocker and is a substrate of organic anion transporting polypeptide 1A2 (OATP1A2). Nadolol has the the potential for high blood pressure, angina pectoris and vascular headaches research[1][2][3].
Atherosperminine
Atherosperminine is an alkaloid. Atherosperminine is a natural product found in Cryptocarya angulata, Friesodielsia velutina, and other organisms with data available. Atherosperminine is found in fruits. Atherosperminine is an alkaloid from the stem bark of Annona muricata (soursop
Nadolol
Nadolol is only found in individuals that have used or taken this drug. It is a non-selective beta-adrenergic antagonist with a long half-life, used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. Nadolol is also used for migraine disorders and for tremor. [PubChem]Like other beta-adrenergic antagonists, nadolol competes with adrenergic neurotransmitters such as catecholamines for binding at sympathetic receptor sites. Like propranolol and timolol, nadolol binds at beta(1)-adrenergic receptors in the heart and vascular smooth muscle, inhibiting the effects of the catecholamines epinephrine and norepinephrine and decreasing heart rate, cardiac output, and systolic and diastolic blood pressure. It also blocks beta-2 adrenergic receptors located in bronchiole smooth muscle, causing vasoconstriction. By binding beta-2 receptors in the juxtaglomerular apparatus, nadolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production. Nadolol therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Nadolol (SQ-11725) is a non-selective and orally active β-adrenergic receptors blocker and is a substrate of organic anion transporting polypeptide 1A2 (OATP1A2). Nadolol has the the potential for high blood pressure, angina pectoris and vascular headaches research[1][2][3].
Fluoxetine
Fluoxetine hydrochloride is the first agent of the class of antidepressants known as selective serotonin-reuptake inhibitors (SSRIs). Despite distinct structural differences between compounds in this class, SSRIs possess similar pharmacological activity. As with other antidepressant agents, several weeks of therapy may be required before a clinical effect is seen. SSRIs are potent inhibitors of neuronal serotonin reuptake. They have little to no effect on norepinephrine or dopamine reuptake and do not antagonize α- or β-adrenergic, dopamine D2 or histamine H1 receptors. During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Chronic use leads to desensitization of somatodendritic 5-HT1A and terminal autoreceptors. The overall clinical effect of increased mood and decreased anxiety is thought to be due to adaptive changes in neuronal function that lead to enhanced serotonergic neurotransmission. Side effects include dry mouth, nausea, dizziness, drowsiness, sexual dysfunction, and headache. Side effects generally occur within the first two weeks of therapy and are usually less severe and frequent than those observed with tricyclic antidepressants. Fluoxetine may be used to treat major depressive disorder (MDD), moderate to severe bulimia nervosa, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder (PMDD), panic disorder with or without agoraphobia, and, in combination with olanzapine, for treatment-resistant or bipolar I depression. Fluoxetine is the most anorexic and stimulating SSRI. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Zanthosimuline
Zanthosimuline is found in fruits. Zanthosimuline is an alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper). Alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper). Zanthosimuline is found in herbs and spices and fruits.
Koenigine
C19H19NO3 (309.13648639999997)
Koenigine is found in herbs and spices. Koenigine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree
Glutaminyltyrosine
Glutaminyltyrosine is a dipeptide composed of glutamine and tyrosine. 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.
Lysyltyrosine
Lysyltyrosine is a dipeptide composed of lysine and tyrosine. 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.
Tyrosyl-Lysine
Tyrosyl-Lysine is a dipeptide composed of tyrosine and lysine. 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.
Tyrosyl-Glutamine
Tyrosyl-Glutamine is a dipeptide composed of tyrosine and glutamine. 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.
Metixene
Metixene is only found in individuals that have used or taken this drug. It is a anticholinergic used as an anti-parkinson drug. [Wikipedia]Parkinsonism is thought to result from an imbalance between the excitatory (cholinergic) and inhibitory (dopaminergic) systems in the corpus striatum. The mechanism of action of centrally active anticholinergic drugs such as metixene is considered to relate to competitive antagonism of acetylcholine at muscarinic receptors in the corpus striatum, which then restores the balance. N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Tyrosyl-Gamma-glutamate
Tyrosyl-Gamma-glutamate is a dipeptide composed of tyrosine 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.
(2E,5Z,7E)-Decatrienoylcarnitine
(2E,5Z,7E)-Decatrienoylcarnitine is an acylcarnitine. More specifically, it is an (2E,5Z,7E)-decatrienoic 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,5Z,7E)-Decatrienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,5Z,7E)-Decatrienoylcarnitine 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].
(2Z,4E,6Z)-Decatrienoylcarnitine
(2Z,4E,6Z)-Decatrienoylcarnitine is an acylcarnitine. More specifically, it is an (2Z,4E,6Z)-deca-2,4,6-trienoic 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. (2Z,4E,6Z)-Decatrienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2Z,4E,6Z)-Decatrienoylcarnitine 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].
(3Z,5E,7E)-Decatrienoylcarnitine
(3Z,5E,7E)-Decatrienoylcarnitine is an acylcarnitine. More specifically, it is an (3Z,5E,7E)-deca-3,5,7-trienoic 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. (3Z,5E,7E)-Decatrienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (3Z,5E,7E)-Decatrienoylcarnitine 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,6E,8E)-Decatrienoylcarnitine
(2E,6E,8E)-Decatrienoylcarnitine is an acylcarnitine. More specifically, it is an (2E,6E,8E)-deca-2,6,8-trienoic 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,6E,8E)-Decatrienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,6E,8E)-Decatrienoylcarnitine 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)-Decatrienoylcarnitine
(2E,4E,7E)-Decatrienoylcarnitine is an acylcarnitine. More specifically, it is an (2E,4E,7E)-deca-2,4,7-trienoic 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)-Decatrienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,4E,7E)-Decatrienoylcarnitine 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].
Sapanisertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase. Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase.
N-Benzyl-9-(tetrahydro-2H-pyran-2-YL)adenine
BAP9THP is a synthetic cytokinin derivative and a growth regulator. BAP9THP promotes chlorophyll retention (and senescence delay) in plant tissues exceptionally strongly, and growth of tobacco callus almost as strongly as 6-Benzylaminopurine (BAP). BAP9THP induces adventitious shoot formation ignificantly more strongly than N6-isopentenyladenine or Kinetin[1][2].
3-(Diphenylmethoxymethyl)-1-ethylpiperidine hydrochloride
N-Demethyllysergic acid diethylamide
8-Hydroxyondansetron
C18H19N3O2 (309.14771939999997)
Solgol
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Nadolol (SQ-11725) is a non-selective and orally active β-adrenergic receptors blocker and is a substrate of organic anion transporting polypeptide 1A2 (OATP1A2). Nadolol has the the potential for high blood pressure, angina pectoris and vascular headaches research[1][2][3].
Lonol
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D000893 - Anti-Inflammatory Agents
Diacetazotol
C18H19N3O2 (309.14771939999997)
Gevotroline
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Nerisopam
C18H19N3O2 (309.14771939999997)
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Pyridone 6
N-[4-[(4-Propan-2-yloxyphenyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
vibunazole
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
(9Z,11E,14Z)-(13S)-hydroperoxyoctadeca-(9,11,14)-trienoate
(9z,11e,14z)-(13s)-hydroperoxyoctadeca-(9,11,14)-trienoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (9z,11e,14z)-(13s)-hydroperoxyoctadeca-(9,11,14)-trienoate can be found in a number of food items such as wasabi, european chestnut, savoy cabbage, and prunus (cherry, plum), which makes (9z,11e,14z)-(13s)-hydroperoxyoctadeca-(9,11,14)-trienoate a potential biomarker for the consumption of these food products.
(-)-Stephanine; (R)-(-)-Stephanine; 8-Methoxy-1,2-(methylenedioxy)-6abeta-aporphine; Stephanin; l-Stephanine
C19H19NO3 (309.13648639999997)
7-methoxyheptaphylline
C19H19NO3 (309.13648639999997)
A natural product found in Clausena harmandiana.
BENZYDAMINE
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations D000893 - Anti-Inflammatory Agents
Benproperine
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3296
N-({[1-Methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}oxy)benzenecarboximidamide
2-[(1-Benzyl-4-piperidyl)amino]-6-fluorobenzonitrile
Zacopride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
17alpha-cyanomethyl-1,3,5(10),9(11)-estratetraene-3,17-diol|17alpha-Cyanomethylestra-1,3,5(10),9(11)-tetraen-3,17beta-diol|J 1201
3-Deoxy-3-methylaminoxylose-beta-D-Furanose-form-Me glycoside, 5-benzyl, N-Ac
2-(3,4-Dimethoxy-phenaethyl)-chinolin-4-ol|2-(3,4-dimethoxy-phenethyl)-quinolin-4-ol
C19H19NO3 (309.13648639999997)
8-(4-O-methyl-alpha-ribopyranosyloxy)-3,4-dihydroquinolin-2(1H)-one
2-methyl-3-butylprodiginine|4-(n-butyl)prodigiosin|n4PG
1-methyl-2-[(1E,5Z)-1,5-undecadienyl]-4(1H)-quinolone
2,11-dimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-1-ol|dehydroisothebaine
C19H19NO3 (309.13648639999997)
6-acetyl-2-hydroxy-1-methoxynoraporphine
C19H19NO3 (309.13648639999997)
2-hydroxy-6-methoxy-1-(3-methyl-but-2-enyl)-carbazole-3-carbaldehyde|6-Methoxyheptaphylline
C19H19NO3 (309.13648639999997)
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline
C19H19NO3 (309.13648639999997)
4-(3-Methyl-but-2-ene)oxy, N-benzoyl phenethyl amine
2-((R)-2-((S)-2-Amino-3-(4-hydroxyphenyl)Propanamido)Propanamido)acetic acid
1-(3,3-dimethyl allyl)-2-hydroxy-3-formyl-8-meth-oxycarbazole
C19H19NO3 (309.13648639999997)
methyl 1-methyl-2-benzyl-5-methoxyindole-3-carboxylate
C19H19NO3 (309.13648639999997)
fluoxetine
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 8321 CONFIDENCE standard compound; EAWAG_UCHEM_ID 334 CONFIDENCE standard compound; INTERNAL_ID 1509
6-[1-(6,6-Dimethyl-3-oxo-bicyclo[3.1.0]hex-2-ylidene)-ethylamino]-chromen-2-one
C19H19NO3 (309.13648639999997)
FLU_310.1415_14.5
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 700
FLUPERLAPINE
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 C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
methadone
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Macusine B
[C20H25N2O]+ (309.19667799999996)
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Bisindole alkaloids, Indole alkaloids
Brevicarine, N-Ac
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
BAP9THP
CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8671; ORIGINAL_PRECURSOR_SCAN_NO 8666 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8607; ORIGINAL_PRECURSOR_SCAN_NO 8605 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8711; ORIGINAL_PRECURSOR_SCAN_NO 8710 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8730; ORIGINAL_PRECURSOR_SCAN_NO 8727 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8753; ORIGINAL_PRECURSOR_SCAN_NO 8748 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8722; ORIGINAL_PRECURSOR_SCAN_NO 8720 BAP9THP is a synthetic cytokinin derivative and a growth regulator. BAP9THP promotes chlorophyll retention (and senescence delay) in plant tissues exceptionally strongly, and growth of tobacco callus almost as strongly as 6-Benzylaminopurine (BAP). BAP9THP induces adventitious shoot formation ignificantly more strongly than N6-isopentenyladenine or Kinetin[1][2].
Fluoxetina
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
metixene
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Lys-tyr
A dipeptide formed from L-lysine and L-tyrosine residues.
Tyr-GLN
A dipeptide formed from L-tyrosine and L-glutamine residues.
Tyr-lys
A dipeptide formed from L-tyrosine and L-lysine residues.
Kenigine
C19H19NO3 (309.13648639999997)
CAR 10:3
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
2-ethylhexyl prop-2-enoate,prop-2-enenitrile,prop-2-enoic acid
(S)-TERT-BUTYL 3-(((BENZYLOXY)CARBONYL)AMINO)-4-HYDROXYBUTANOATE
Isomethadone
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
(S)-Isopropyl 2-(benzyloxycarbonylamino)-5-hydroxypentanoate
2-acetamido-4,6-o-benzylidene-2-deoxy-d-glucopyranose
N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester
C16H28BNO4 (309.21112780000004)
2-(N-Propyl-N-phenethylamino)-5-hydroxytetralin
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
(R)-1-CBZ-3-HYDROXYMETHYLPYRROLIDINE
C19H19NO3 (309.13648639999997)
3-[(3,4-dimethylphenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
Carbamic acid, N,N-3,5-pyridinediylbis-, C,C-bis(1,1-dimethylethyl) ester
4-chloro-N-[1-(N-hydroxycarbamimidoyl)cycloheptyl]benzamide
2-(4-tert-butoxycarbonylamino-butylamino)-nicotinic acid
2-(methylamino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
17-isocyanato-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
N,N-DIMETHYL-N-[3-(SULFOOXY)PROPYL]-1-NONANAMINIUM HYDROXIDE, INNER SALT
2-BENZYL-2-AZA-SPIRO[4.5]DECANE-4-CARBOXYLIC ACID HYDROCHLORIDE
1-(4-ISOBUTYLPHENYL)-3-(3-NITROPHENYL)PROP-2-EN-1-ONE
C19H19NO3 (309.13648639999997)
4-[(4-Methoxybenzylidene)amino]cinnamic Acid Ethyl Ester
C19H19NO3 (309.13648639999997)
Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-diethyl ester
5-tert-butyl 3-ethyl 1-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate
acetic acid,tert-butyl N-(5,6,7,8-tetrahydro-1,7-naphthyridin-3-yl)carbamate
6-methylheptyl prop-2-enoate,prop-2-enenitrile,prop-2-enoic acid
2-[(4-TERT-BUTYLBENZOYL)AMINO]-4-(METHYLTHIO)BUTANOIC ACID
methyl 1-benzyl-2-ethyl-5-hydroxyindole-3-carboxylate
C19H19NO3 (309.13648639999997)
bis(2-hydroxyethyl)-3-aminopropyltriethoxysilane
C13H31NO5Si (309.19713959999996)
bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carbonitrile
2-(BOC-AMINO)-6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID
6-methyl-N1-(3-methyl-1-(6-(methylamino)pyrimidin-4-yl)-1H-pyrazol-5-yl)benzene-1,3-diamine
4-(3-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
2-N-BOC-2-AMINOMETHYL-3-(3-METHOXY-PHENYL)-PROPIONIC ACID
4-([4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIEN-2-YL]METHYL)MORPHOLINE
C15H24BNO3S (309.15698640000005)
Levomethadone
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
BOC-TRANS-4-(3-FLUOROPHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
3-pyridin-3-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridazine
3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridazine
[4-[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine
TERT-BUTYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,6-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
C16H28BNO4 (309.21112780000004)
4-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHEN-2-YL)METHYL)MORPHOLINE
C15H24BNO3S (309.15698640000005)
2-N-BOC-2-AMINOMETHYL-3-(4-METHOXYPHENYL)-PROPIONIC ACID
Dioxadrol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanol
1-[3-(Benzoyloxy)propyl]-2,3-dihydro-1H-indole-5-carboxaldehyde
C19H19NO3 (309.13648639999997)
3-[methyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
4-chloro-7-triisopropylsilanyl-7H-pyrrolo[2,3-d]pyrimidine
C15H24ClN3Si (309.14279339999996)
3,5-dip-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
(5-amino-2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
C19H19NO3 (309.13648639999997)
N-[1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethylidene]-alpha-methylbenzenepropanamine
BOC-3-AMINO-3-(BENZO[D][1,3]DIOXOL-5-YL)PROPANOICACID
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-5-UREIDOPENTANOIC ACID
9-[3-(dimethylamino)propyl]-10,10-dimethylanthracen-9-ol
Trans-Methyl 1-benzyl-4-p-tolylpyrrolidine-3-carboxylate
3-((Phenylamino)methyl)phenylboronic acid, pinacol ester
TERT-BUTYL 6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
C16H28BNO4 (309.21112780000004)
1-[3-(2-Methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine
1-[4-(Benzyloxy)-1H-indol-2-yl]ethyl acetate
C19H19NO3 (309.13648639999997)
(R)-beta-[[(tert-Butoxy)carbonyl]amino]-1,3-benzodioxole-5-propanoic acid
1-[(3-aminopropyl)amino]-4-(methylamino)anthraquinone
C18H19N3O2 (309.14771939999997)
(2S,4R)-3-BENZOYL-4-ETHYL-4-METHYL-2-PHENYL-OXAZOLIDIN-5-ONE
C19H19NO3 (309.13648639999997)
Dextromethadone
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid
C19H19NO3 (309.13648639999997)
4-(4-Styryl-phenylcarbamoyl)-butyric acid
C19H19NO3 (309.13648639999997)
1-Tert-butyl-3-(2,5-dimethylbenzyl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine
Cyclohepta(b)pyrazolo(3,4-d)pyridin-3(2H)-one, 5,6,7,8,9,10-hexahydro-2-(4-methoxyphenyl)-
C18H19N3O2 (309.14771939999997)
1-[2-(2,5-Dimethylphenoxy)ethyl]-3-indolecarboxylic acid
C19H19NO3 (309.13648639999997)
ML-098 (CID-7345532) is an activator of the GTP-binding protein Rab7 with an EC50 of 77.6 nM.
4-Benzyl-1-{thieno[2,3-d]pyrimidin-4-yl}piperidine
5-Methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dione
C19H19NO3 (309.13648639999997)
Ethyl 5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
C19H19NO3 (309.13648639999997)
2,3-Naphthalenediol, 5-((2R)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2S,3R)-rel-
2,3-Naphthalenediol, 5-((2R)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, (2R,3S)-rel-
6,7-dimethoxy-N-[(4-methylphenyl)methyl]quinazolin-4-amine
C18H19N3O2 (309.14771939999997)
2-Amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
C18H19N3O2 (309.14771939999997)
7-Hydroxy-8-methyl-4-[[methyl-(phenylmethyl)amino]methyl]-1-benzopyran-2-one
C19H19NO3 (309.13648639999997)
1-[2-[3-(1-Methylethenyl)phenyl]propan-2-yl]-3-(4-methyl-2-pyridinyl)urea
(19E)-4-methylsarpagan-4-ium-17-ol
C20H25N2O+ (309.19667799999996)
1-[(2s)-4-(5-Phenyl-1h-Pyrazolo[3,4-B]pyridin-4-Yl)morpholin-2-Yl]methanamine
1-((1R)-1-(Hydroxymethyl)-3-(1-naphthyl)propyl)-1H-imidazole-4-carboxamide
C18H19N3O2 (309.14771939999997)
(1S,4R,7AR)-4-Butoxy-1-[(1R)-1-formylpropyl]-2,4,5,6,7,7A-hexahydro-1H-isoindole-3-carboxylic acid
Sapanisertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase. Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase.
N-methyl-N-[4-(1-methyl-9H-beta-carbolin-4-yl)butyl]acetamide
Fructosyllysine(1+)
C12H25N2O7+ (309.16616799999997)
An amino-acid cation comprising fructosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3.
(9Z,11E,13S,15Z)-13-Hydroperoxyoctadeca-9,11,15-trienoate
Conjugate base of (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid.
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
Psicosyllysine(1+)
C12H25N2O7+ (309.16616799999997)
An amino-acid cation comprising psicosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3.
Domoate
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
(8E,10S,12Z,15Z)-10-hydroperoxyoctadec-8,12,15-trienoate
(2S)-3-methyl-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]butanoic acid
(9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate
The conjugate base of (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienic acid.
(2S)-2-[[2-[(2Z)-2-Pentenyl]-3-oxocyclopentyl]acetylamino]-3-methylbutyric acid
7-(3-Amino-5-hydroxyphenyl)-7-hydroxy-2,6-dimethyl-3,5-dioxoheptanoic acid
1-[(1E,3Z)-5-(2-carboxypyrrolidin-1-ium-1-ylidene)-4-hydroxypenta-1,3-dienyl]pyrrolidine-2-carboxylic acid
(9E,11E,14E)-13-hydroperoxyoctadeca-9,11,14-trienoate
1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Ala-Gly-Tyr
A tripeptide composed of L-alanine, glycine, and L-tyrosine joined in sequence by peptide linkages.
2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetic acid
N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-1H-indole-3-carbohydrazide
2-(4-Acetyl-1-piperazinyl)-6-amino-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
2-(5-Amino-1-phenyl-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
1-[(2-Ethyl-4-hydroxy-4-methyl-1-oxopentyl)amino]-3-phenylthiourea
2-(5,7-Dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl ester
C18H19N3O2 (309.14771939999997)
N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
C18H19N3O2 (309.14771939999997)
(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
C18H19N3O2 (309.14771939999997)
2-chloro-N-[2-(2,2-dimethyl-4-phenyl-4-oxanyl)ethyl]acetamide
(R)-2-hydroperoxy-alpha-linolenate
A hydroperoxy fatty acid anion that is the conjugate base of (R)-2-hydroperoxy-alpha-linolenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
1-[4-[4-[(Phenylmethyl)amino]phenyl]-1-piperazinyl]ethanone
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
10-HPO(6,8,12)TrE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 10-HPO(6,8,12)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(1-phenylethyl)acetamide
C18H19N3O2 (309.14771939999997)
1-Butyl-3-[(2-hydroxyphenyl)hydrazinylidene]-2-indolone
C18H19N3O2 (309.14771939999997)
10(R)-HPO(6,8,12)TrE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 10(R)-HPO(6,8,12)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
3-methyl-N-[(4-methylphenyl)methyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine
1-[5-hydroxy-3-methyl-5-(3-pyridinyl)-4H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone
C18H19N3O2 (309.14771939999997)
5-Fluoro-2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole
1-[9-Ethyl-6-(1-hydroxyiminoethyl)-3-carbazolyl]ethanone oxime
C18H19N3O2 (309.14771939999997)
N-[2-(3-phenoxyphenoxy)ethyl]-N-prop-2-enyl-2-propen-1-amine
6-[[(2-Isopropoxyphenyloxy)carbonyl]amino]hexanoic acid
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C18H19N3O2 (309.14771939999997)
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(3-pyridinyl)methanone
C18H19N3O2 (309.14771939999997)
5-tert-butyl-2-methyl-N-quinoxalin-6-ylpyrazole-3-carboxamide
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C18H19N3O2 (309.14771939999997)
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C18H19N3O2 (309.14771939999997)
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
C18H19N3O2 (309.14771939999997)
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(3-pyridinyl)methanone
C18H19N3O2 (309.14771939999997)
2-(4-tert-butylphenyl)-3-hydroxy-3-(1,3,4-trimethyl-1H-pyrazol-5-yl)acrylonitrile
Methyl 5-[(2-ethoxycarbonyl-3-oxohex-1-enyl)amino]uran-2-carboxylate
(Z)-4-glutaramidostilbene
C19H19NO3 (309.13648639999997)
A stilbenoid obtained by formal condensation of the amino group of (Z)-4-aminostilbene with one of the carboxy groups of glutaric acid.
N(2)-[(R)-2-amino-2-phenylacetyl]-N-butyl-L-cysteinamide
N(2)-[(R)-2-amino-2-(4-hydroxyphenyl)acetyl]-N-butyl-L-serinamide
4-(2-Aminopropanoylamino)-5-[(6-aminopyridin-2-yl)amino]-5-oxopentanoic acid
2-(4-Methoxyanilino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
C18H19N3O2 (309.14771939999997)
(2S)-2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3-hydroxy-2-methylpropanenitrile
12,13-epoxy-(10R)-hydroxy-(8E,15Z)-octadecadienoate
4-Acetylamino-5,7-dimethylflavanone
C19H19NO3 (309.13648639999997)
4-(3-(4-Trimethylsilyloxyphenoxy)propyl)morpholine
2-Trimethylsilyloxy-N-(2-(diethylamino)ethyl)-3-pyridinecarboxamide
C15H27N3O2Si (309.18724419999995)
4-(3-(4-(3-Hydroxybutoxy)phenoxy)propyl)morpholine
2-(3-Hydroxybutoxy)-N-(2-(diethylamino)ethyl)-3-pyridinecarboxamide
C16H27N3O3 (309.20523119999996)
6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one
C19H19NO3 (309.13648639999997)
Metipranolol
3-(Propan-2-ylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by a 4-acetoxy-2,3,5-trimethylphenoxy group. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Metipranolol is a nonselective and orally active β-adrenergic receptor antagonist. Metipranolol can be used for hypertension and glaucoma research[1][2].
Difenidol
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
N-[[(E)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
domoate(2-)
A tricarboxylic acid anion that is the conjugate base of domoic acid, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
Solgol
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Nadolol (SQ-11725) is a non-selective and orally active β-adrenergic receptors blocker and is a substrate of organic anion transporting polypeptide 1A2 (OATP1A2). Nadolol has the the potential for high blood pressure, angina pectoris and vascular headaches research[1][2][3].
(2E,5Z,7E)-decatrienoylcarnitine
An O-acylcarnitine having (2E,5Z,7E)-decatrienoyl as the acyl substituent.
ZINC69391
C14H14F3N5 (309.12012400000003)
ZINC69391, a specific Rac1 inhibitor, interferes with Rac1-GEF interaction by masking Trp56 residue on Rac1 surface. ZINC69391 interferes with the interaction of Rac1 with Dock180 and reduces Rac1-GTP levels. ZINC69391 induces apoptosis, and shows antiproliferative and antimetastatic effects[1][2][3].
(1s,2r,5s,6s,8r,11s)-5-[(dimethylamino)methyl]-2-hydroxy-11-isopropyl-6-methyl-9-oxatricyclo[6.2.1.0²,⁶]undecane-7,10-dione
(12s)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C19H19NO3 (309.13648639999997)
(13e)-13-ethylidene-18-(hydroxymethyl)-11-methyl-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraen-11-ium
[C20H25N2O]+ (309.19667799999996)
(12s)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C19H19NO3 (309.13648639999997)
(1r,3ar,4s,6r)-1,4,7-trimethyl-6-(2-methylprop-1-en-1-yl)-1h,2h,3h,3ah,4h,5h,6h-phenaleno[2,1-d][1,3]oxazole
2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-1,3-dimethylquinolin-4-one
(2s,3r,4s,5s,6r)-2-{[2-ethyl-1-(hydroxyimino)butyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
C12H23NO6S (309.12460180000005)
methyl 6-[cyclohex-2-en-1-yl(hydroxy)methyl]-4-hydroxy-6a-methyl-2h,3h,3ah-furo[2,3-c]pyrrole-6-carboxylate
(13s,15s,16z)-16-ethylidene-6-methoxy-1λ⁵,11-diazapentacyclo[13.2.2.0¹,¹³.0⁴,¹².0⁵,¹⁰]nonadeca-4(12),5,7,9-tetraen-1-ylium
[C20H25N2O]+ (309.19667799999996)
(2e)-n-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-n-methyl-3-phenylprop-2-enamide
C19H19NO3 (309.13648639999997)
16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
C19H19NO3 (309.13648639999997)
methyl 1-hydroxy-4-(3-methylbut-2-en-1-yl)-9h-carbazole-3-carboxylate
C19H19NO3 (309.13648639999997)
8-methyl-6-[(2-methylpropanoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enoate
1,11,12-trimethyl-6-phenyl-8,10-dioxa-4-azatricyclo[7.4.0.0²,⁷]trideca-2,4,6,12-tetraen-3-ol
C19H19NO3 (309.13648639999997)
1-[(3ar,4r,5r,7as)-5-[(4e)-5-(pyridin-2-yl)pent-4-en-1-yl]-2,3,3a,4,5,7a-hexahydro-1h-inden-4-yl]ethanone
18-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C19H19NO3 (309.13648639999997)