Exact Mass: 339.20456240000004
Exact Mass Matches: 339.20456240000004
Found 341 metabolites which its exact mass value is equals to given mass value 339.20456240000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Propoxyphene
Propoxyphene is only found in individuals that have used or taken this drug. It is a narcotic analgesic structurally related to methadone. Only the dextro-isomer has an analgesic effect; the levo-isomer appears to exert an antitussive effect. [PubChem]Propoxyphene acts as a weak agonist at OP1, OP2, and OP3 opiate receptors within the central nervous system (CNS). Propoxyphene primarily affects OP3 receptors, which are coupled with G-protein receptors and function as modulators, both positive and negative, of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine, and noradrenaline is inhibited. Opioids such as propoxyphene also inhibit the release of vasopressin, somatostatin, insulin, and glucagon. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AC - Diphenylpropylamine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
Disopyramide
A class I anti-arrhythmic agent (one that interferes directly with the depolarization of the cardiac membrane and thus serves as a membrane-stabilizing agent) with a depressant action on the heart similar to that of guanidine. It also possesses some anticholinergic and local anesthetic properties. [PubChem] C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Nalmefene
C21H25NO3 (339.18343400000003)
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BB - Drugs used in alcohol dependence D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist
Perazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Xamoterol
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists Same as: D06328
NCIOpen2_009010
C21H25NO3 (339.18343400000003)
noracymethadol
noracymethadol is a metabolite of levomethadyl acetate. Levacetylmethadol, levomethadyl acetate (USAN), Orlaam (trade name) or levo-α-acetylmethadol (LAAM) is a synthetic opioid similar in structure to methadone. It has a long duration of action due to its active metabolites. (Wikipedia) 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 D002491 - Central Nervous System Agents > D000700 - Analgesics
Methylergonovine
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AB - Ergot alkaloids C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D012102 - Reproductive Control Agents > D010120 - Oxytocics
4-(3-(4-Benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl)phenol
Methylergonovine
Methylergonovine is only found in individuals that have used or taken this drug. It is a homolog of ergonovine containing one more CH2 group. (Merck Index, 11th ed)Methylergonovine acts directly on the smooth muscle of the uterus and increases the tone, rate, and amplitude of rhythmic contractions through binding and the resultant antagonism of the dopamine D1 receptor. Thus, it induces a rapid and sustained tetanic uterotonic effect which shortens the third stage of labor and reduces blood loss. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AB - Ergot alkaloids C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D012102 - Reproductive Control Agents > D010120 - Oxytocics
Dehydropipernonaline
C21H25NO3 (339.18343400000003)
Dehydropipernonaline is found in herbs and spices. Dehydropipernonaline is isolated from fruits of Piper longum (long pepper). Isolated from fruits of Piper longum (long pepper). Dehydropipernonaline is found in herbs and spices and pepper (spice).
(3E,5E,8Z)-Deca-3,5,8-trienedioylcarnitine
(3E,5E,8Z)-Deca-3,5,8-trienedioylcarnitine is an acylcarnitine. More specifically, it is an (3E,5E,8Z)-deca-3,5,7-trienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (3E,5E,8Z)-Deca-3,5,8-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (3E,5E,8Z)-Deca-3,5,8-trienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Deca-2,5,8-trienedioylcarnitine
Deca-2,5,8-trienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-2,5,8-trienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Deca-2,5,8-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-2,5,8-trienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Deca-3,5,7-trienedioylcarnitine
Deca-3,5,7-trienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-3,5,7-trienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Deca-3,5,7-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-3,5,7-trienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Deca-4,6,8-trienedioylcarnitine
Deca-4,6,8-trienedioylcarnitine is an acylcarnitine. More specifically, it is an deca-4,6,8-trienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Deca-4,6,8-trienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Deca-4,6,8-trienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(7Z,9E)-Dodeca-7,9-dienoylcarnitine
(7Z,9E)-Dodeca-7,9-dienoylcarnitine is an acylcarnitine. More specifically, it is an (7Z,9E)-dodeca-7,9-dienoic 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. (7Z,9E)-Dodeca-7,9-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (7Z,9E)-Dodeca-7,9-dienoylcarnitine 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].
(5E,7E)-Dodeca-5,7-dienoylcarnitine
(5E,7E)-Dodeca-5,7-dienoylcarnitine is an acylcarnitine. More specifically, it is an (5E,7E)-dodeca-5,7-dienoic 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. (5E,7E)-Dodeca-5,7-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (5E,7E)-Dodeca-5,7-dienoylcarnitine 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,8Z)-Dodeca-2,8-dienoylcarnitine
(2E,8Z)-Dodeca-2,8-dienoylcarnitine is an acylcarnitine. More specifically, it is an (2E,8Z)-dodeca-2,8-dienoic 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,8Z)-Dodeca-2,8-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,8Z)-Dodeca-2,8-dienoylcarnitine 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)-Dodeca-2,4-dienoylcarnitine
(2E,4E)-Dodeca-2,4-dienoylcarnitine is an acylcarnitine. More specifically, it is an (2E,4E)-dodeca-2,4-dienoic 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)-Dodeca-2,4-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,4E)-Dodeca-2,4-dienoylcarnitine 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,6Z)-Dodeca-2,6-dienoylcarnitine
(2E,6Z)-Dodeca-2,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an (2E,6Z)-dodeca-2,6-dienoic 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,6Z)-Dodeca-2,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,6Z)-Dodeca-2,6-dienoylcarnitine 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].
(8Z,10E)-Dodeca-8,10-dienoylcarnitine
(8Z,10E)-Dodeca-8,10-dienoylcarnitine is an acylcarnitine. More specifically, it is an (8Z,10E)-dodeca-8,10-dienoic 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. (8Z,10E)-Dodeca-8,10-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (8Z,10E)-Dodeca-8,10-dienoylcarnitine 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].
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-[(2-methylcyclopropyl)methyl]pyrrolo[2,3-d]pyridazine
Alogliptin
Blonanserin C
C21H26FN3 (339.21106480000003)
Bursin
C14H25N7O3 (339.20187799999997)
Bursopoietin
C14H25N7O3 (339.20187799999997)
(2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile
3b-Hydroxy-17-(1h-1,2,3-triazol-1-yl)androsta-5,16-diene
Edivoxetine
C18H26FNO4 (339.18457680000006)
1',3'-Dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,4'-1,3-diazinane]-2'-one
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Nalmefene
C21H25NO3 (339.18343400000003)
4-[(1R,2S)-3-(4-Benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
2-Dehydrodeacetylheterophylloidine
C21H25NO3 (339.18343400000003)
tumonoic acid A
A natural product found particularly in Oscillatoria margaritifera and Oscillatoria margaritifera.
2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
C21H25NO3 (339.18343400000003)
(1-((Tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
(6Z)-6-{[2-(1,1-dimethylprop-2-en-1-yl)-1H-indol-3-yl]methylidene}-3-hydroxy-3-methylpiperazine-2,5-dione|variecolorin O
9-O-(erythro-2-hydroxy-2-methyl-3-tigloyloxy-butyryl)-(-)-trachelanthamidine|minalobine O
C18H29NO5 (339.20456240000004)
1-[1]Naphthyl-cyclopentancarbonsaeure-(2-diaethylamino-aethylester)|1-[1]naphthyl-cyclopentanecarboxylic acid-(2-diethylamino-ethyl ester)
(2E,4Z)-4-amino-2,3-dimethylheptadeca-2,4-diene-dioic acid|nemopilemic acid
12,16-dihydroxy-13-methoxy-4,7-dimethyl-14-oxa-4-aza-tricyclo[11.2.1.02,7]hexadec-1-ene-3,8-dione|phyllostictine D
6beta-Isovaleryloxy-3alpha-tigloyloxy-tropanol-(7beta)
C18H29NO5 (339.20456240000004)
N-(1,2-Dioxotetradecyl)-2-methylene-beta-alanine methyl ester
2,4-Diphenylbutyric acid 2-(diethylamino)ethyl ester
n,n-dimethyl-2-(2,3,4-trimethoxyphenanthren-1-yl)ethanamine
C21H25NO3 (339.18343400000003)
methyl 2-amino-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)propanoate
C19H33NO2S (339.22318780000006)
(+)-7-epi-12-hydroxyjasmonoyl-L-isoleucine
C18H29NO5 (339.20456240000004)
Propoxyphene
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AC - Diphenylpropylamine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 3344
Methylergometrine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.459 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.457 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.450 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.451
[3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate
disopyramide
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Vincadifformine
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
[3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate [IIN-based on: CCMSLIB00000845926]
[3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate [IIN-based: Match]
(7R,8R,E)-6-((2R,E)-6,7-dihydroxy-2,5-dimethyloct-4-en-1-ylidene)-8-methyloctahydroindolizine-7,8-diol
Dehydropipernonaline
C21H25NO3 (339.18343400000003)
3-N-BOC-AMINO-1-[2-AMINO-1-(3-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE
3-N-BOC-AMINO-1-[2-AMINO-1-(4-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE
TERT-BUTYL 3-(3-(BENZYLOXY)PHENYL)AZETIDINE-1-CARBOXYLATE
C21H25NO3 (339.18343400000003)
1-(3-(4-AMINOPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-2-(3,4-DIMETHOXYPHENYL)ETHANONE
1H-Indole-2-carboxaldehyde,2,3-dihydro-2-hydroxy-1,3,3-trimethyl-,(4-methoxyphenyl)methylhydrazone
Uracil,6-amino-5-(2-dibutylaminoacetamido)-1,3-dimethyl- (6CI)
levopropoxyphene
C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
Piperilate
C21H25NO3 (339.18343400000003)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
1-Dodecanaminium, N,N,N-trimethyl-, methyl sulfate
Piperazine, 1-[1-[(4-chloro-2-fluorophenyl)methyl]-4-piperidinyl]-2-ethyl-, (2S)
2-((4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)AMINO)-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE
N-[dimethylamino-ethylimino-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]-N-methylmethanamine
1-Methyl-3-(alpha-Cyclopentylmandeloyloxy)Pyrrolidinehydrochloride
C18H26ClNO3 (339.16011160000005)
(S)-Tetrahydro-1,3,3-triphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxaborole
Alogliptin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-
2-[4-(3-phenylquinoxalin-2-yl)phenyl]propan-2-amine
6-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one
C21H25NO3 (339.18343400000003)
azanium,cumene,furan-2,5-dione,styrene
C21H25NO3+ (339.18343400000003)
(R)-Tetrahydro-1,3,3-triphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxaborole
4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)MORPHOLINE HYDROCHLORIDE
4-(TERT-BUTYLAMINO)SULFONYLPHENYLBORONIC ACID PINACOL ESTER
3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-(N-(tert-butyl)sulfamoyl)phenyl)boronate
2-butyl-6-methyl-3-(4-nitrobenzyl)-3H-imidazo[4,5-b]pyridin-5-amine
(3R,3aR,4S,4aR,7R,8aR,9aR)-7-[(Ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-carboxylic acid
2-((6-(3-aMinopiperidin-1-yl)-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)benzonitrile
3-(4-MORPHOLINOMETHYL)-PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE
ETHYL 4-(4-PENTYLOXYBENZYLIDENEAMINO)BENZOATE
C21H25NO3 (339.18343400000003)
tert-Butyl (1-(2-fluoro-6-nitrophenyl)piperidin-4-yl)carbamate
C16H22FN3O4 (339.15942640000003)
Edivoxetine
C18H26FNO4 (339.18457680000006)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
5-Cyano-Furan-2-Carboxylic Acid [5-Hydroxymethyl-2-(4-Methyl-Piperidin-1-Yl)-Phenyl]-Amide
2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-methylamino]quinazoline
4-[(1R,2S)-3-(4-Benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
(4-Fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone
2-(1-azepanyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
2-[3-(3-Hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydro-4-isoquinolinol
C21H25NO3 (339.18343400000003)
(3r,4r)-4-(Pyrrolidin-1-Ylcarbonyl)-1-(Quinoxalin-2-Ylcarbonyl)pyrrolidin-3-Amine
1-{(1R,2S)-2-Hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1H-imidazone-4-carboxamide
2-[6-(2-Hydroxy-2-phenyl-ethyl)-1-methyl-2-piperidyl]-1-phenyl-ethanol
N1-(2-aminophenyl)-N8-phenyloctanediamide
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
(2s)-1-[1-(4-Phenylbutanoyl)-L-Prolyl]pyrrolidine-2-Carbonitrile
3alpha-hydroxy-3,5-dihydromonacolin L carboxylate
A hydroxy monocarboxylic acid anion that is the conjugate base of 3alpha-hydroxy-3,5-dihydromonacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-({(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetyl)-L-isoleucine
C18H29NO5 (339.20456240000004)
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium
C14H25N7O3+2 (339.20187799999997)
methyl (1S,12R,19S)-12-ethyl-8-aza-16-azoniapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
9-[6(S),9-diamino-5,6,7,8,9-pentadeoxy-beta-D-ribo-nonafuranosyl]-9H-purin-6-amine
C14H25N7O3+2 (339.20187799999997)
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylic acid
3b-Hydroxy-17-(1h-1,2,3-triazol-1-yl)androsta-5,16-diene
Noracymethadol, (-)-
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
4-benzyl-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide
(+)-Vincadifformine(1+)
An ammonium ion resulting from the protonation of the tertiary amino group of (+)-vincadifformine. The major species at pH 7.3.
1-(3-Cyano-7-methoxy-2-quinolinyl)-4-piperidinecarboxylic acid ethyl ester
N-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
N-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]hexanediamide
N-[1-(1-hexyl-2-benzimidazolyl)ethyl]-2-furancarboxamide
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-1-butanone
C21H25NO3 (339.18343400000003)
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3,5-dimethylphenyl)acetamide
N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide
C17H29N3O2S (339.19803740000003)
4-Hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione
C21H25NO3 (339.18343400000003)
8-Methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[4,3-c]pyrazol-4-one
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(15S)-hydroperoxy-(11Z,13E)-eicosadienoate
C20H35O4- (339.25352100000003)
(5S)-hydroperoxy-(6E,8Z)-eicosadienoate
C20H35O4- (339.25352100000003)
Secodine(1+)
A tertiary ammonium ion that is the conjugate acid of secodine, obtained by protonation of the nitrogen atom of the tetrahydropyridine moiety. The major microspecies at pH 7.3.
1-(2-Methyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidinecarboxylic acid ethyl ester
N-(4-cyclohexylphenyl)-2-(4-methylphenyl)sulanylacetamide
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
2-(1,1-Dimethylpiperidin-1-ium-3-yl)oxy-2-oxo-1,1-diphenylethanolate
C21H25NO3 (339.18343400000003)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
C17H29N3O4 (339.21579540000005)
1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
C17H29N3O4 (339.21579540000005)
1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
C17H29N3O4 (339.21579540000005)
1-[(2S,3S,4R)-2-(ethylaminomethyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(2-pyridinyl)ethanone
(1R,5S)-N-cyclohexyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
C17H29N3O4 (339.21579540000005)
1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
C17H29N3O4 (339.21579540000005)
1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
C17H29N3O4 (339.21579540000005)
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
C17H29N3O4 (339.21579540000005)
1-[(2R,3R,4S)-2-(ethylaminomethyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(2-pyridinyl)ethanone
1-[(2S,3R,4S)-2-(ethylaminomethyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(2-pyridinyl)ethanone
(1S,5R)-N-cyclohexyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
1-[(1S,5R)-7-[4-(1-cyclohexenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-(dimethylamino)ethanone
Estra-1,3,5(10)-triene-16,17-dione, 3-(2-propenyloxy)-, 16-oxime
C21H25NO3 (339.18343400000003)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(Z,Z)-dicyclopropyl-methoxymycolate
C20H35O4- (339.25352100000003)
N-({(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetyl)-L-isoleucine
C18H29NO5 (339.20456240000004)
(3R,5R,7S,8E,10E,12E)-3-amino-5-hydroxy-7-methoxyoctadeca-8,10,12-trienoic acid
10,11-epoxy-12-hydroxy-(14Z)-eicosenoate
C20H35O4- (339.25352100000003)
6-tert-butyl-N-[(E)-pyridin-4-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
6-tert-butyl-N-[(E)-pyridin-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
12-hydroperoxy-(10E,14Z)-eicosadienoate
C20H35O4- (339.25352100000003)
14,15-epoxy-12-hydroxy-(10E)-eicosenoate
C20H35O4- (339.25352100000003)
2-(5-cyano-1,4-dimethyl-6-oxopyridin-2-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
methyl (19S)-12-ethyl-16-aza-8-azoniapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
PERAZINE
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
NORACYMETHADOL
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 D002491 - Central Nervous System Agents > D000700 - Analgesics
Nor-laam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(-)-vincadifformine(1+)
An ammonium ion resulting from the protonation of the tertiary amino group of (-)-vincadifformine. The major species at pH 7.3.
(-)-coronaridine(1+)
An ammonium ion derivative resulting from the protonation of the tertiary amino group of (-)-coronaridine.
3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime
C21H25NO3 (339.18343400000003)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine
C18H29NO5 (339.20456240000004)
An L-isoleucine derivative resulting from the formal condensation of the carboxy group of (+)-12-hydroxy-7-isojasmonic acid with the amino group of L-isoleucine.
perivine(1+)
A secondary ammonium ion that is the conjugate acid of perivine obtained by protonation of the secondary amino group; major species at pH 7.3.
2-Methyl-3-morpholino-1,1-diphenylpropane-carboxylic acid
C21H25NO3 (339.18343400000003)
KYP-2047
KYP-2047 is a potent and BBB-penetrating prolyl-oligopeptidase (POP) inhibitor, with an Ki value of 0.023 nM. KYP-2047 reduces glioblastoma proliferation through angiogenesis and apoptosis modulation[1][2].
SEN12333
SEN 12333 (WAY-317538) is a potent, selective and orally active α7 nAChR agonist. SEN12333 displays high affinity for the rat α7 nAChRs expressed in GH4C1 cells (K>i=260 nM) and acts as full agonist in functional Ca2+ flux studies (EC50=1.6 μM). SEN 12333 is used for AD and schizophrenia research[1].
10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl 1-methylpyrrolidine-2-carboxylate
2-methoxy-5-methyl-6-[(1e,3e)-3-methyl-4-(1h-pyrrol-2-yl)buta-1,3-dien-1-yl]-3-(2-methylbut-3-en-2-yl)pyran-4-one
C21H25NO3 (339.18343400000003)
(6z)-3-methyl-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}pyrazine-2,3,5-triol
(1s,3r,5r,6r,7s)-6-hydroxy-8-methyl-7-[(3-methylbutanoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enoate
C18H29NO5 (339.20456240000004)
(7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate
9-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one
C21H25NO3 (339.18343400000003)
(1s,10z)-6-hydroxy-4,5,6,13-tetramethyl-2,8-dioxa-13-azabicyclo[8.5.1]hexadec-10-ene-3,7,16-trione
7-angeloyl-9-(2,3-dihydroxylbutyryl)heliotridine
{"Ingredient_id": "HBIN013049","Ingredient_name": "7-angeloyl-9-(2,3-dihydroxylbutyryl)heliotridine","Alias": "NA","Ingredient_formula": "C17H25NO6","Ingredient_Smile": "CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)O)O","Ingredient_weight": "339.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41159","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91748011","DrugBank_id": "NA"}
(3r,6z)-3-methyl-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}pyrazine-2,3,5-triol
(6r,6ar,8r,10s,10ar)-4-(4-hydroxyphenyl)-6,8,10-trimethyl-6h,6ah,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-ol
C21H25NO3 (339.18343400000003)
(2s,13s,15r,16r,19r,20r,21r)-21-hydroxy-1,11,19-trimethyl-18-oxa-1,11-diazahexacyclo[11.8.0.0²,¹⁶.0⁴,¹².0⁵,¹⁰.0¹⁵,²⁰]henicosa-4(12),5,7,9-tetraen-1-ium
(3s,6z)-3-(hydroxymethyl)-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-3h-pyrazine-2,5-diol
(1s,5r,8r,9s,11r,14s,17s,18r)-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-6,16,19-trione
C21H25NO3 (339.18343400000003)
2-{[(1r,2s,4r,8s)-2,6,7,7-tetramethyltricyclo[6.2.1.0¹,⁵]undec-5-en-4-yl]amino}benzoic acid
(3r,5r,6r)-3-amino-n-(2-carbamimidoylethyl)-5-hydroxy-6-{[(2e,4z)-1-hydroxyhexa-2,4-dien-1-ylidene]amino}heptanimidic acid
1-[(2r)-2-hydroxypropyl]-2-methyl-6-(3-methylbut-2-en-1-yl)-2,9-dihydro-1h-carbazole-3,4-dione
C21H25NO3 (339.18343400000003)
(6ar,8r,10s,10ar)-4-(4-hydroxyphenyl)-6,8,10-trimethyl-6h,6ah,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-ol
C21H25NO3 (339.18343400000003)
dimethyl[2-(3,4,8-trimethoxyphenanthren-1-yl)ethyl]amine
C21H25NO3 (339.18343400000003)
(3r,7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate
4-(4-hydroxyphenyl)-6,8,10-trimethyl-6h,6ah,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-ol
C21H25NO3 (339.18343400000003)
(2e,4z)-4-amino-2,3-dimethylheptadeca-2,4-dienedioic acid
1-[(3-methoxy-4-methylidene-1,5-dihydropyrrol-2-yl)sulfanyl]tridecan-1-one
C19H33NO2S (339.22318780000006)
(2e,4z,8e)-9-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,4,8-trien-1-one
C21H25NO3 (339.18343400000003)
(1r,5r,8r,9s,11s,14r,17r,18r)-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10,16-trione
C21H25NO3 (339.18343400000003)
2-heptyl-3,4-dihydroxy-6-methoxy-7-methylidene-5-oxo-2h,4h-pyrano[2,3-c]pyrrole-3-carbaldehyde
(3s,7e,9e)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl (2s)-1-methylpyrrolidine-2-carboxylate
2-methoxy-5-methyl-6-[3-methyl-4-(1h-pyrrol-2-yl)buta-1,3-dien-1-yl]-3-(2-methylbut-3-en-2-yl)pyran-4-one
C21H25NO3 (339.18343400000003)
4-ethylidene-7,11-dihydroxy-7-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(1s)-2-[(2s,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
dimethyl[2-(2,3,4-trimethoxyphenanthren-1-yl)ethyl]amine
C21H25NO3 (339.18343400000003)
(1r,3s,5s)-3-[(1r)-1-hydroxy-2-(2-hydroxy-6-oxo-4,5-dihydro-3h-pyridin-4-yl)ethyl]-1,5-dimethyl-4-oxocyclohexyl acetate
5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-6,16,19-trione
C21H25NO3 (339.18343400000003)
(3r,5r,6r)-3-amino-n-(2-carbamimidoylethyl)-5-hydroxy-6-{[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]amino}heptanimidic acid
(2r,3s)-4-[(1r,7as)-hexahydro-1h-pyrrolizin-1-ylmethoxy]-3-hydroxy-3-methyl-4-oxobutan-2-yl (2e)-2-methylbut-2-enoate
C18H29NO5 (339.20456240000004)
2-({2,6,7,7-tetramethyltricyclo[6.2.1.0¹,⁵]undec-5-en-4-yl}amino)benzoic acid
(3r)-6-hydroxy-8-methyl-7-[(3-methylbutanoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enoate
C18H29NO5 (339.20456240000004)
5,6-dihydroxy-6-methyl-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1h-pyrazin-2-one
6-hydroxy-8-methyl-7-[(3-methylbutanoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl 2-methylbut-2-enoate
C18H29NO5 (339.20456240000004)
(3s)-6-hydroxy-8-methyl-7-[(3-methylbutanoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enoate
C18H29NO5 (339.20456240000004)
5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10,16-trione
C21H25NO3 (339.18343400000003)
(4z)-4-amino-2,3-dimethylheptadeca-2,4-dienedioic acid
(1s)-2-[(2s,6r)-6-[(2r)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
(1e,7s,12s,13s,16s)-12,16-dihydroxy-13-methoxy-4,7-dimethyl-14-oxa-4-azatricyclo[11.2.1.0²,⁷]hexadec-1-ene-3,8-dione
(4s,5r,8r,9s,10s)-3-hydroxy-5,9-dimethyl-14-oxa-7-azahexacyclo[15.2.1.1⁷,¹⁰.0⁴,⁸.0⁹,¹⁹.0¹³,¹⁸]henicosa-1(19),13(18),17(20)-trien-2-one
C21H25NO3 (339.18343400000003)
1-(3-hydroxy-2,4-dimethyldodec-4-enoyl)pyrrolidine-2-carboxylic acid
4-(hexahydro-1h-pyrrolizin-1-ylmethoxy)-3-hydroxy-3-methyl-4-oxobutan-2-yl 2-methylbut-2-enoate
C18H29NO5 (339.20456240000004)
(6s,6ar,8r,10s,10ar)-4-(4-hydroxyphenyl)-6,8,10-trimethyl-6h,6ah,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-ol
C21H25NO3 (339.18343400000003)
(2s,3r,4s)-2-heptyl-3,4-dihydroxy-6-methoxy-7-methylidene-5-oxo-2h,4h-pyrano[2,3-c]pyrrole-3-carbaldehyde
4-ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecan-8-one
C18H29NO5 (339.20456240000004)
12,16-dihydroxy-13-methoxy-4,7-dimethyl-14-oxa-4-azatricyclo[11.2.1.0²,⁷]hexadec-1-ene-3,8-dione
(1r,4e,6r,7r,11s,12s,17r)-4-ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecan-8-one
C18H29NO5 (339.20456240000004)