Exact Mass: 327.15614800000003
Exact Mass Matches: 327.15614800000003
Found 500 metabolites which its exact mass value is equals to given mass value 327.15614800000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-Boldine
C19H21NO4 (327.14705060000006)
Boldine is an aporphine alkaloid. Boldine is a natural product found in Lindera umbellata, Damburneya salicifolia, and other organisms with data available. See also: Peumus boldus leaf (part of). (S)-Boldine is found in sweet bay. (S)-Boldine is an alkaloid from Sassafras and the leaves of Peumus boldus (boldo). (S)-Boldine is a flavouring ingredient. Alkaloid from Sassafras and the leaves of Peumus boldus (boldo). Flavouring ingredient. (S)-Boldine is found in sweet bay. D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Boldine is an aporphine isoquinoline alkaloid extracted from the root of Litsea cubeba and also possesses these properties, including antioxidant, anti-inflammatory and cytoprotective effects. Boldine suppresses osteoclastogenesis, improves bone destruction by down-regulating the OPG/RANKL/RANK signal pathway and may be a potential therapeutic agent for rheumatoid arthritis[1]. Boldine is an aporphine isoquinoline alkaloid extracted from the root of Litsea cubeba and also possesses these properties, including antioxidant, anti-inflammatory and cytoprotective effects. Boldine suppresses osteoclastogenesis, improves bone destruction by down-regulating the OPG/RANKL/RANK signal pathway and may be a potential therapeutic agent for rheumatoid arthritis[1].
Salutaridine
C19H21NO4 (327.14705060000006)
Salutaridine is a morphinane alkaloid from the opium poppy, in which the 5,6,8,14-tetradehydromorphinan-7-one skeleton is substituted at position 4 by a hydroxyl group, positions 3 and 6 by methoxy groups and position N17 by a methyl group. An intermediate in the biosynthesis of narcotic analgesics such as morphine and codeine. It has a role as a metabolite and an anti-HBV agent. It is a conjugate base of a salutaridinium(1+). It derives from a hydride of a morphinan. Salutaridine is a natural product found in Sarcocapnos saetabensis, Platycapnos saxicola, and other organisms with data available. A morphinane alkaloid from the opium poppy, in which the 5,6,8,14-tetradehydromorphinan-7-one skeleton is substituted at position 4 by a hydroxyl group, positions 3 and 6 by methoxy groups and position N17 by a methyl group. An intermediate in the biosynthesis of narcotic analgesics such as morphine and codeine. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Isoteolin
C19H21NO4 (327.14705060000006)
Isoboldine is an aporphine alkaloid. (+)-Isoboldine is a natural product found in Fumaria capreolata, Thalictrum foetidum, and other organisms with data available. See also: Peumus boldus leaf (part of).
6-Acetylmorphine
C19H21NO4 (327.14705060000006)
6-acetylmorphine belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Loxapine
Loxapine is only found in individuals that have used or taken this drug. It is an antipsychotic agent used in schizophrenia. [PubChem]Loxapine is a dopamine antagonist, and also a serotonin 5-HT2 blocker. The exact mode of action of Loxapine has not been established, however changes in the level of excitability of subcortical inhibitory areas have been observed in several animal species in association with such manifestations of tranquilization as calming effects and suppression of aggressive behavior. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines 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 > C29710 - Antipsychotic Agent Loxapine is an orally active dopamine inhibitor, 5-HT receptor antagonist and also a dibenzoxazepine anti-psychotic agent[1][4].
Naloxone
C19H21NO4 (327.14705060000006)
Naloxone is only found in individuals that have used or taken this drug. It is a specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors. [PubChem]While the mechanism of action of naloxone is not fully understood, the preponderance of evidence suggests that naloxone antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor. Recently, naloxone has been shown to bind all three opioid receptors (mu, kappa and gamma) but the strongest binding is to the mu receptor. A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AH - Peripheral opioid receptor antagonists V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes 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
3-Acetylmorphine
C19H21NO4 (327.14705060000006)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
corytuberine
C19H21NO4 (327.14705060000006)
An aporphine alkaloid that is aporphine which is substituted by hydroxy groups at positions 1 and 11, and by methoxy groups at positions 2 and 10 (the S enantiomer).
(S)-scoulerine
C19H21NO4 (327.14705060000006)
(s)-scoulerine, also known as discretamine or aequaline, belongs to protoberberine alkaloids and derivatives class of compounds. Those are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton (s)-scoulerine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-scoulerine can be found in a number of food items such as rice, lemon grass, chinese bayberry, and sea-buckthornberry, which makes (s)-scoulerine a potential biomarker for the consumption of these food products.
Cularidine
C19H21NO4 (327.14705060000006)
Azaperone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives 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 C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Azaperone (R-1929) acts as a dopamine antagonist but also has some antihistaminic and anticholinergic properties. Azaperone is a pyridinylpiperazine and butyrophenone neuroleptic agent with antiemetic effects, which is used mainly as a tranquilizer in veterinary medicine.
Melitracen hydrochloride
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Melitracen hydrochloride is an orally active biphasic antidepressant and antianxiety agent. Melitracen hydrochloride can inhibit the uptake of Norepinephrine and 5-HT (serotonin) through the presynaptic membrane inducing the increase of monoamine transmitters in synaptic space[1][2].
N-(4-Hydroxycinnamoyl)tyrosine
Natural food antioxidant. Isolated from cocoa liquor (Theobroma cacao). N-(4-Hydroxycinnamoyl)tyrosine is found in cocoa and cocoa products and cocoa powder. N-(4-Hydroxycinnamoyl)tyrosine is found in cocoa and cocoa products. Natural food antioxidant. It is isolated from cocoa liquor (Theobroma cacao).
Laurotetanine
C19H21NO4 (327.14705060000006)
Laurotetanine is found in cherimoya. Laurotetanine is an alkaloid from the leaves of Peumus boldus (boldo Alkaloid from the leaves of Peumus boldus (boldo). Laurotetanine is found in cherimoya.
N-(1-Deoxy-1-fructosyl)phenylalanine
C15H21NO7 (327.13179560000003)
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)phenylalanine is classified as a Natural Food Constituent (code WA) in the DFC.
Simulansine
C20H25NO3 (327.18343400000003)
Alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper). Simulansine is found in herbs and spices and fruits. Simulansine is found in fruits. Simulansine is an alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper).
Norcorydine
C19H21NO4 (327.14705060000006)
Norcorydine is found in custard apple. Norcorydine is an alkaloid from Annona squamosa (sugar apple). Alkaloid from Annona squamosa (sugar apple). Norcorydine is found in custard apple and fruits.
Retrofractamide A
C20H25NO3 (327.18343400000003)
Retrofractamide A is found in herbs and spices. Retrofractamide A is an alkaloid from the above-ground parts of Piper retrofractum (Javanese long pepper) and the fruits of Piper nigrum (pepper). Alkaloid from the above-ground parts of Piper retrofractum (Javanese long pepper) and the fruits of Piper nigrum (pepper). Retrofractamide A is found in herbs and spices and pepper (spice).
Norisocorydine
C19H21NO4 (327.14705060000006)
Norisocorydine is found in cherimoya. Norisocorydine is an alkaloid from Peumus boldus (boldo Alkaloid from Peumus boldus (boldo). (S)-Norisocorydine is found in cherimoya.
(+)-O-Methylarmepavine
C20H25NO3 (327.18343400000003)
(+)-O-Methylarmepavine is found in fruits. (+)-O-Methylarmepavine is an alkaloid from Annona squamosa (sugar apple
Coreximine
C19H21NO4 (327.14705060000006)
Coreximine is found in soursop. Coreximine is an alkaloid from Papaver somniferum (opium poppy Alkaloid from Papaver somniferum (opium poppy). Coreximine is found in soursop.
(2E,8E)-Piperamide-C9:2
C20H25NO3 (327.18343400000003)
(2E,8E)-Piperamide-C9:2 is found in herbs and spices. (2E,8E)-Piperamide-C9:2 is a constituent of pepper fruits (Piper nigrum). Constituent of pepper fruits (Piper nigrum). (2E,8E)-Piperamide-C9:2 is found in herbs and spices.
(R)-Norisocorydine
C19H21NO4 (327.14705060000006)
(R)-Norisocorydine is found in fruits. (R)-Norisocorydine is an alkaloid from Annona cherimola (cherimoya
N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide
N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Cinereain
Cinereain is found in cereals and cereal products. Cinereain is isolated from Botrytis cinerea on sunflower seed. Isolated from Botrytis cinerea on sunflower seed. Cinereain is found in cereals and cereal products.
desethylamodiaquine
desethylamodiaquine is a metabolite of amodiaquine. Amodiaquine (trade names Camoquin, Flavoquine) is a 4-aminoquinoline compound related to chloroquine, used as an antimalarial and anti-inflammatory agent. Amodiaquine has been shown to be more effective than chloroquine in treating CRPF (chloroquine-resistant Plasmodium falciparum) malaria infections and may afford more protection than chloroquine when used as weekly prophylaxis. Amodiaquine, like chloroquine, is generally well tolerated. (Wikipedia)
3,4-dimethylideneheptanedioylcarnitine
3,4-dimethylideneheptanedioylcarnitine is an acylcarnitine. More specifically, it is an 3,4-dimethylideneheptanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3,4-dimethylideneheptanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3,4-dimethylideneheptanedioylcarnitine 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].
Nona-4,7-dienedioylcarnitine
nona-4,7-dienedioylcarnitine is an acylcarnitine. More specifically, it is an nona-4,7-dienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. nona-4,7-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-4,7-dienedioylcarnitine 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].
Nona-3,7-dienedioylcarnitine
nona-3,7-dienedioylcarnitine is an acylcarnitine. More specifically, it is an nona-3,7-dienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. nona-3,7-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-3,7-dienedioylcarnitine 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].
Nona-4,6-dienedioylcarnitine
nona-4,6-dienedioylcarnitine is an acylcarnitine. More specifically, it is an nona-4,6-dienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. nona-4,6-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-4,6-dienedioylcarnitine 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,7E)-Nona-2,7-dienedioylcarnitine
(2E,7E)-nona-2,7-dienedioylcarnitine is an acylcarnitine. More specifically, it is an (2E,7E)-nona-2,7-dienedioic 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,7E)-nona-2,7-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,7E)-nona-2,7-dienedioylcarnitine 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].
Nona-3,6-dienedioylcarnitine
Nona-3,6-dienedioylcarnitine is an acylcarnitine. More specifically, it is an nona-3,6-dienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. nona-3,6-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-3,6-dienedioylcarnitine 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].
Nona-5,7-dienedioylcarnitine
Nona-5,7-dienedioylcarnitine is an acylcarnitine. More specifically, it is an nona-5,7-dienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. nona-5,7-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-5,7-dienedioylcarnitine 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].
(S)-Tert-Butyl (3-hydroxy-1,1-diphenylpropan-2-yl)carbamate
C20H25NO3 (327.18343400000003)
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(methylphenylamino)propyl)-
1-Butyl-3-(1-naphthoyl)indole
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists
Blood platelet activating factor-acether
BENACTYZINE
C20H25NO3 (327.18343400000003)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Benzoic acid, 2-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]amino]-
Clofibride
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates
D,L-Stepholidine
C19H21NO4 (327.14705060000006)
Flestolol
C15H22FN3O4 (327.15942640000003)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Ketotrilostane
C20H25NO3 (327.18343400000003)
4-[2-(4-Isopropylbenzamido)ethoxy]benzoic acid
C19H21NO4 (327.14705060000006)
1-[(4R,4Ar,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]ethanone
C19H21NO4 (327.14705060000006)
1-[(4R,4Ar,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-11-yl]ethanone
C19H21NO4 (327.14705060000006)
Traxoprodil
C20H25NO3 (327.18343400000003)
2-trans-8-trans-Piperamide-C-9-2
C20H25NO3 (327.18343400000003)
2-trans-8-trans-piperamide-c-9-2 is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. 2-trans-8-trans-piperamide-c-9-2 is practically insoluble (in water) and a moderately basic compound (based on its pKa). 2-trans-8-trans-piperamide-c-9-2 can be found in pepper (spice), which makes 2-trans-8-trans-piperamide-c-9-2 a potential biomarker for the consumption of this food product.
(S)-corytuberine
C19H21NO4 (327.14705060000006)
(s)-corytuberine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof (s)-corytuberine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-corytuberine can be found in a number of food items such as jackfruit, jostaberry, sunburst squash (pattypan squash), and black-eyed pea, which makes (s)-corytuberine a potential biomarker for the consumption of these food products.
Stepholidine
C19H21NO4 (327.14705060000006)
l-Stepholidine is a natural product found in Desmos cochinchinensis, Meiogyne monosperma, and other organisms with data available.
Sinoacutin
C19H21NO4 (327.14705060000006)
Sinoacutine is a natural product found in Platycapnos saxicola, Cassytha filiformis, and other organisms with data available. See also: Peumus boldus leaf (part of).
6,9-Dimethoxy-1-methyl-2,3,12,12a-tetrahydro-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-8-ol
C19H21NO4 (327.14705060000006)
Erysotramidine
C19H21NO4 (327.14705060000006)
Erysotramidine is a natural product found in Erythrina herbacea, Erythrina leptorhiza, and other organisms with data available.
1,3-Dioxolo(4,5-g)furo(2,3-b)quinoline, 9-methoxy-4-((3-methyl-2-butenyl)oxy)-
10,11-Dihydro-8-(1-methylethyl)-11-(2-methylpropylidene)-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione
(+)-O-Methylarmepavine
C20H25NO3 (327.18343400000003)
JWH-015
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists
JWH-073
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists CONFIDENCE standard compound; INTERNAL_ID 1704
3-Methyl-6-oxo-1-phenyl-4-(3-pyridinyl)-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
3-(5-Isopropyl-3,8-dimethylazulen-1-yl)-2-(methylsulfonyl)acrylonitrile
C19H21NO2S (327.12929260000004)
BENACTYZINE
C20H25NO3 (327.18343400000003)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
AMINOPROMAZINE
C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
1,2-dehydroreticuline
C19H21NO4 (327.14705060000006)
1,2,3,4-Tetrahydro-1-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methyl-6,7-(methylenedioxy)isoquinoline
C19H21NO4 (327.14705060000006)
methyl N-{4-[(alpha-L-rhamnopyranosyl)benzyl]}carbamate
C15H21NO7 (327.13179560000003)
(S,E)-2-(3-(3,4-dihydroxyphenyl)acrylamido)-3-phenylpropanoic acid|2-[3-(3,4-dihydroxy-phenyl)-acryloylamino]-3-phenylpropionic acid|N-trans-caffeoyl-L-phenylalanine
1,10-Dimethoxy-13aalpha-berbin-2,11-diol|1,10-dimethoxy-13aalpha-berbine-2,11-diol
C19H21NO4 (327.14705060000006)
8-Hydroxy-5,7-Dimethoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone
(+-)-1,2,3,4-Tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-(3,4-methylendioxybenzyl)isoquinoline|1-benzo[1,3]dioxol-5-ylmethyl-6-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-7-ol
C19H21NO4 (327.14705060000006)
(-)-4-<2-(dimethylamino)ethyl>phenyl beta-D-glucopyranoside|(-)-4-[2-(dimethylamino)ethyl]phenyl beta-D-glucopyranoside|hordenine-4-O-beta-D-glucoside
Fortuneine
C20H25NO3 (327.18343400000003)
1,10,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol|10-O-Methyl-hernovin
C19H21NO4 (327.14705060000006)
4,6-dimethoxy-5-[(E)-3-methoxy-3-methyl-1-butenyl]furo[2,3-b]quinoline
C19H21NO4 (327.14705060000006)
1-(3-hydroxy-4-methoxybenzyl)-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline
C19H21NO4 (327.14705060000006)
(1Z,2E)-methyl 3-(p-hydroxy-m-methoxyphenyl)-N-(p-hydroxyphenethyl)acrylimidate|persicoimidate
C19H21NO4 (327.14705060000006)
Scoulerine
C19H21NO4 (327.14705060000006)
(R,S)-Scoulerine is an alkaloid. Scoulerine is a natural product found in Sarcocapnos saetabensis, Corydalis bungeana, and other organisms with data available.
11-Methoxy-erythraline|11alpha-methoxy-erythraline|15,16-methanediyldioxy-3beta,11alpha-dimethoxy-erythrina-1,6-diene|O-methyl-erythrinine
C19H21NO4 (327.14705060000006)
N-(14-methylallyl)norgalanthamine|N-14-methylallylnorgalanthamin
C20H25NO3 (327.18343400000003)
2,3-methanediyldioxy-6-methoxy-17-methyl-morphina-5,8(14)-dien-7xi-ol|Undaurin
C19H21NO4 (327.14705060000006)
diethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate
C19H21NO4 (327.14705060000006)
17alpha-cyanomethylestra-1,3,5(10)-triene-3,16xi,17-triol
C20H25NO3 (327.18343400000003)
3,20-dioxo-11alpha-hydroxycona-1,4-diene|norkurchamide
C20H25NO3 (327.18343400000003)
17alpha-cyanomethyl-11beta,17-dihydroxy-4,9-estradien-3-one|17alpha-Cyanomethyl-11beta,17beta-dihydroxy-estra-4,9-dien-3-on
C20H25NO3 (327.18343400000003)
1-Deoxy-1-L-phenylalanino-D-fructose
C15H21NO7 (327.13179560000003)
(1-(sec-butyl)-1H-indol-3-yl)(naphthalen-2-yl)-methanone
Retrofractamide A
C20H25NO3 (327.18343400000003)
Litsoeine
C19H21NO4 (327.14705060000006)
Laurotetanine is an isoquinoline alkaloid. 4H-Dibenzo(de,g)quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)- is a natural product found in Hernandia nymphaeifolia, Lindera erythrocarpa, and other organisms with data available. See also: Peumus boldus leaf (part of).
(+)-Norlirioferine
C19H21NO4 (327.14705060000006)
(+)-Norlirioferine is a natural product found in Guatteria dumetorum with data available.
6-acetylmorphine
C19H21NO4 (327.14705060000006)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids CONFIDENCE standard compound; INTERNAL_ID 1574
Tetrameprozine
[Raw Data] CB198_Tetrameprozine_pos_50eV_CB000070.txt [Raw Data] CB198_Tetrameprozine_pos_40eV_CB000070.txt [Raw Data] CB198_Tetrameprozine_pos_30eV_CB000070.txt [Raw Data] CB198_Tetrameprozine_pos_20eV_CB000070.txt [Raw Data] CB198_Tetrameprozine_pos_10eV_CB000070.txt
Boldine
C19H21NO4 (327.14705060000006)
Boldine is an aporphine alkaloid. Boldine is a natural product found in Lindera umbellata, Damburneya salicifolia, and other organisms with data available. See also: Peumus boldus leaf (part of). D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents (s)-boldine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof (s)-boldine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-boldine can be found in sweet bay, which makes (s)-boldine a potential biomarker for the consumption of this food product. Origin: Plant; Formula(Parent): C19H21NO4; Bottle Name:Boldine hydrochloride; PRIME Parent Name:Boldine; PRIME in-house No.:V0322; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.487 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.480 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.482 IPB_RECORD: 841; CONFIDENCE confident structure Boldine is an aporphine isoquinoline alkaloid extracted from the root of Litsea cubeba and also possesses these properties, including antioxidant, anti-inflammatory and cytoprotective effects. Boldine suppresses osteoclastogenesis, improves bone destruction by down-regulating the OPG/RANKL/RANK signal pathway and may be a potential therapeutic agent for rheumatoid arthritis[1]. Boldine is an aporphine isoquinoline alkaloid extracted from the root of Litsea cubeba and also possesses these properties, including antioxidant, anti-inflammatory and cytoprotective effects. Boldine suppresses osteoclastogenesis, improves bone destruction by down-regulating the OPG/RANKL/RANK signal pathway and may be a potential therapeutic agent for rheumatoid arthritis[1].
(6aS)-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol
C19H21NO4 (327.14705060000006)
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9-ol
C19H21NO4 (327.14705060000006)
Scoulerin
C19H21NO4 (327.14705060000006)
A berberine alkaloid isolated from Corydalis saxicola.
C18H17NO5_L-Tyrosine, N-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]
C18H21N3O3_6H-Oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione, 10,11-dihydro-8-(1-methylethyl)-11-(2-methylpropylidene)-, (11Z)
C18H21N3O3_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 10-hydroxy-4-(1-methylethyl)-1-(2-methylpropylidene)-, (1Z,4S)
C18H17NO5_L-Tyrosine, N-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]
loxapine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines 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 > C29710 - Antipsychotic Agent Loxapine is an orally active dopamine inhibitor, 5-HT receptor antagonist and also a dibenzoxazepine anti-psychotic agent[1][4].
Tranilast
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D018926 - Anti-Allergic Agents Tranilast (MK-341) acts as an anti-atopic agent. Tranilast suppresses production of prostaglandin D2 (PGD2, IC50= 0.1 mM). Tranilast sodium exhibits anti-inflammatory and immunomodulatory effects[1]. Tranilast sodium antagonizes angiotensin II and inhibits its biological effects in vascular smooth muscle cells[2]. trans-Tranilast (trans-MK-341) is an antiallergic drug, used to treat bronchial asthma, allergic rhinitis and atopic dermatitis. Target: Angiotensin Receptor Tranilast has been approved in Japan and South Korea, since 1982, for the treatment of bronchial asthma, with indications for keloids and hypertrophic scar added in 1993. Tranilast is also used to treat asthma, autoimmune diseases, atopic and fibrotic pathologies, and can also inhibit angiogenesis. The antiproliferative properties of tranilast were found that tranilast elicited an inhibitory effect on fibroblast proliferation in vitro and also suppressed collagen production both in vitro and in vivo . Tranilast also reduced the release of chemical mediators from mast cells and suppressed hypersensitivity reactions. [1] Three-week-old C57Bl/10 and mdx mice received tranilast (~300 mg/kg) in their food for 9 weeks, after which fibrosis was assessed through histological analyses, and functional properties of tibialis anterior muscles were assessed in situ and diaphragm muscle strips in vitro. Tranilast administration did not significantly alter the mass of any muscles in control or mdx mice, but it decreased fibrosis in the severely affected diaphragm muscle by 31\% compared with untreated mdx mice (P< 0.05) [2].
(2S)-3-(4-hydroxyphenyl)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid
N-Fructosyl phenylalanine
C15H21NO7 (327.13179560000003)
Annotation level-3
salutaridine
C19H21NO4 (327.14705060000006)
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids
Naloxone
C19H21NO4 (327.14705060000006)
A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose. A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AH - Peripheral opioid receptor antagonists V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes 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
Platelet-activating factor
PC(4:0/0:0)
PC(0:0/4:0)
PC(0:0/4:0)[U]
PC(O-5:0/0:0)[R]
C13H30NO6P (327.18106500000005)
6a&alpha
C19H21NO4 (327.14705060000006)
Sanjoinine IB
C19H21NO4 (327.14705060000006)
Coramine
C19H21NO4 (327.14705060000006)
(R)-Norisocorydine
C19H21NO4 (327.14705060000006)
N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-YL)ethyl)oxalamide
Norcorydine
C19H21NO4 (327.14705060000006)
Cinereain
Brachyamide b
C20H25NO3 (327.18343400000003)
N-trans-P-Coumaroyltyrosine
Simulansine
C20H25NO3 (327.18343400000003)
3-[[2-(3-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoic acid
C19H21NO4 (327.14705060000006)
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
C19H21NO4 (327.14705060000006)
3-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoic acid
C19H21NO4 (327.14705060000006)
3-[3-(4-methoxyphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
2-(3,4-DIMETHOXYBENZYL)-3-OXOISOINDOLINE-4-CARBOXYLIC ACID
(3R,4R)-BENZYL 3-HYDROXY-4-(4-HYDROXYPHENYL)PIPERIDINE-1-CARBOXYLATE
C19H21NO4 (327.14705060000006)
4-n-butoxycarbonyloxybenzylidene-4-methoxyaniline
C19H21NO4 (327.14705060000006)
2-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)-[1,1-BIPHENYL]-2-CARBOXYLIC ACID
C19H21NO4 (327.14705060000006)
5-Amino-N,N-bis(2,3-dihydroxypropyl)isophthalamide
Benzyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
C19H21NO4 (327.14705060000006)
(5-Isopropyl-3-methyl-1,2-oxazol-4-yl)[4-(3-methylphenyl)-1-piper azinyl]methanone
1-{3-[4-(3-TRIFLUOROMETHYL-PHENYL)-PIPERAZIN-1-YL]-AZETIDIN-1-YL}-ETHANONE
C16H20F3N3O (327.15583860000004)
2,2,6,6-Tetramethylpiperidone-4-toluenesulfonate
C16H25NO4S (327.15042100000005)
Befunolol hydrochloride
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
2-CBZ-6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
3-(3-AMINOMETHYL-AZETIDIN-1-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER-2HCl
7-(Dipropylamino)-5,6,7,8-tetrahydro-2-naphthalenol hydrobromide (1:1)
METHYL2-DEOXY-2-[[(PHENYLMETHOXY)CARBONYL]AMINO]-ALPHA-D-GLUCOPYRANOSIDE
C15H21NO7 (327.13179560000003)
Levobunolol hydrochloride
C17H26ClNO3 (327.16011160000005)
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 C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent Levobunolol (l-Bunolol) hydrochloride is a potent and nonselective β-adrenergic receptor antagonist. Levobunolol hydrochloride is an ocular hypotensive agent and lowers mean intraocular pressure (IOP). Levobunolol hydrochloride can be used for glaucoma and superior oblique myokymia (SOM) research[1][2][3].
METHYL 2-FLUORO-3-(PYRROLIDINE-1-CARBONYL)-[1,1-BIPHENYL]-3-CARBOXYLATE
1H-INDAZOLE, 6-FLUORO-1-(2-FLUOROPHENYL)-3-(1-METHYL-4-PIPERIDINYL)-
2-N-BOC-3-(3-CHLORO-PHENYL)-2-METHYLAMINOMETHYL-PROPIONIC ACID
METHYL 2-N-BOC-2-AMINOMETHYL-3-(4-CHLORO-PHENYL)-PROPIONATE
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
1,3-Benzenedicarboxamide,5-amino-N1,N3-bis(2,3-dihydroxypropyl)-
9-(3,4-dichlorophenoxy)-3-methyl-3-azaspiro[5.5]undecane
(1R,2S)-1-amino-2-vinylcyclopropanecarboxylic acid ethyl ester tosylate salt
N-[(1R)-2-[1,1-Biphenyl]-4-yl-1-(hydroxymethyl)ethyl]carbamic acid 1,1-dimethylethyl ester
C20H25NO3 (327.18343400000003)
N-[(2R,3S)-2-(2,5-Difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester
C16H19F2NO4 (327.12820780000004)
7-(DIPROPYLAMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL HYDROBROMIDE
1-Butanaminium,N,N-dibutyl-N-methyl-, iodide (1:1)
8-Hydroxy-DPAT hydrobromide
8-OH-DPAT (8-Hydroxy-DPAT) hydrobromide is a potent and selective 5-HT1A agonist with a pIC50 of 8.19. 8-OH-DPAT hydrobromide has selectivity of almost 1000 fold for a subtype of the 5-HT1 binding site[1].
4-(Furfurylaminocarbonyl)benzeneboronic acid pinacol ester
C18H22BNO4 (327.16418020000003)
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine methyl ester
N-(tert-Butoxycarbonyl)-b-phenyl-L-phenylalaninol
C20H25NO3 (327.18343400000003)
2-(4-Biphenylyl)-2-(Boc-amino)acetic Acid
C19H21NO4 (327.14705060000006)
Difemerine
C20H25NO3 (327.18343400000003)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AA - Synthetic anticholinergics, esters with tertiary amino group C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
BENZYL 4-(((METHYLSULFONYL)OXY)METHYL)PIPERIDINE-1-CARBOXYLATE
METHYL 2-N-BOC-2-AMINOMETHYL-3-(3-CHLORO-PHENYL)-PROPIONATE
rel-(2R,3R)-6-[α-(2-Ethoxyphenoxy)benzyl]morpholin-3-one
C19H21NO4 (327.14705060000006)
1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium chloride
C19H22ClN3 (327.15021620000005)
tilidine hydrochloride hemihydrate
C17H26ClNO3 (327.16011160000005)
Methanone, [4-(2,3-dimethylphenyl)-1-piperazinyl](3-ethyl-5-methyl-4-isoxazolyl)
n-ethyl-carbazol-3-aldehyde-n-methyl-n-phenyl-hydrazone
2-Cyano-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxa-borolan-2-yl)-phenyl]-acrylic acid ethyl ester
C18H22BNO4 (327.16418020000003)
2-(5-Chloro-2H-Benzotriazol-2-Yl)-6-(2-Methyl-2-Propanyl)-4-Vinylphenol
(2E)-2-(HYDROXYIMINO)-N-(2-METHOXY-4-NITROPHENYL)ACETAMIDE
Dimenoxadol
C20H25NO3 (327.18343400000003)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
C13H22BN3O4S (327.14240020000005)
CP-101,606
C20H25NO3 (327.18343400000003)
Traxoprodil (CP101,606) is a potent and selective NMDA antagonist and protect hippocampal neurons with an IC50 of 10 nM.
Cyclopentolate Hydrochloride
C17H26ClNO3 (327.16011160000005)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent Cyclopentolate (DL-Cyclopentolate) hydrochloride is an Atropine-like muscarinic receptors antagonist with a pKB value of 7.8 (on the circular ciliary muscle). Cyclopentolate hydrochloride is an anti-muscarinic agent commonly used in the ophthalmologic practice[1][2].
2-(TERT-BUTYL)-7-PIPERAZINO-5-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE
C15H20F3N5 (327.16707160000004)
tert-butyl 3-(4-phenyl-1H-imidazol-2-yl)piperidine-1-carboxylate
9-Ethyl-3-(N-methyl-N-phenylhydrazonomethyl)carbazole
Glycine,N-(diphenylmethylene)-,1-methyl ethylester
C19H21NO4 (327.14705060000006)
5-(Aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxybenzamide
1-[2-(Methylsulfonyl)ethyl]-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester
C14H22BNO5S (327.13116720000005)
N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide
C14H22BNO5S (327.13116720000005)
1-(5-(TERT-BUTYL)ISOXAZOL-3-YL)-3-(2-(TRIFLUOROMETHYL)PHENYL)UREA
Zolamine hydrochloride
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Ethyl 3-hydroxy-3-methyl-1-tosylpyrrolidine-2-carboxylate
3-(Furfurylaminocarbonyl)benzeneboronic acid pinacol ester
C18H22BNO4 (327.16418020000003)
5-(2-Phenylpyrazolo[1,5-A]pyridin-3-YL)-1H-pyrazolo[3,4-C]pyridazin-3-amine
FR 180204 is an ATP-competitive and selective ERK inhibitor. FR 180204 inhibits ERK1 and ERK2 with IC50s of 0.51 μM (Ki=0.31 μM) and 0.33 μM (Ki=0.14 μM), respectively[1].
2,6-Dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[4-methyl-2H-tetrazol-2-YL]-phenol
(1r)-2-Phenylacetamido-2-(3-carboxyphenyl)ethyl boronic acid
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-methoxyphenyl)methyl)-2-methyl-
C20H25NO3 (327.18343400000003)
1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
C19H21NO4 (327.14705060000006)
3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
C19H21NO4 (327.14705060000006)
4-[2-(4-Isopropylbenzamido)ethoxy]benzoic acid
C19H21NO4 (327.14705060000006)
Thiphenamil
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
3-Methyl-7-(2-phenylethyl)-8-(propylamino)purine-2,6-dione
5-Methyl-3-[2-(1-piperidinyl)ethylthio]-[1,2,4]triazino[5,6-b]indole
C17H21N5S (327.15175860000005)
{[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}(propan-2-yl)[(pyridin-2-yl)methyl]amine
C18H21N3OS (327.14052560000005)
2-(2-Hydroxy-biphenyl-3-yl)-1H-indole-5-carboxamidine
2,6-Dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2n-methyl-2h-tetrazol-5-yl]-phenol
terbinafine hydrochloride
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent D004791 - Enzyme Inhibitors Terbinafine hydrochloride (TDT 067 hydrochloride) is an orally active and potent antifungal agent. Terbinafine hydrochloride is a potent non-competitive inhibitor of squalene epoxidase from Candida, with a Ki of 30 nM. Terbinafine hydrochloride also shows antibacterial activity against certain Gram-positive and Gram-negative bacteria[1][2][3]. Terbinafine hydrochloride is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
clofibride
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates
[8-Methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone
N-propanoyl-gamma-L-glutamyl-L-orornithine-delta-lactam ethyl ester
(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-3-methylbut-2-enoate
1-[(4R,4Ar,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]ethanone
C19H21NO4 (327.14705060000006)
(2-Acetyloxy-3-ethoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
4,6-Dimethoxy-4-dimethylamino-2-hydroxychalcone
C19H21NO4 (327.14705060000006)
3-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide
C20H25NO3 (327.18343400000003)
1-Quinolin-8-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbaldehyde
1-[1-(1,3-Dioxo-2-indenylidene)ethyl]-4-piperidinecarboxylic acid ethyl ester
C19H21NO4 (327.14705060000006)
Isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate
C19H21NO4 (327.14705060000006)
A member of the class of pyridines that is pyridine substituted by a (2-methylpropoxy)carbonyl and a (2-phenylethoxy)carbonyl group at positions 2 and 6 respectively.
6-Amino-3-[(2-chlorophenyl)methyl]-2-propyl-4-quinazolinone
Cepharatine C
C19H21NO4 (327.14705060000006)
A natural product found in Stephania cephalantha.
Cepharatine D
C19H21NO4 (327.14705060000006)
A natural product found in Stephania cephalantha.
O3-(2-fluorobenzoyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydroximamide
(4R,4aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
C19H21NO4 (327.14705060000006)
N-[4-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
5-(4-methyl-1-naphthalenyl)-N-phenyl-2-furancarboxamide
5-(Azepan-1-yl)-2-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carbonitrile
3-(2,5-Dimethyl-3-furanyl)-5,6-diphenyl-1,2,4-triazine
4-(4-hydroxyphenyl)-N-(phenylmethyl)-1-piperazinecarbothioamide
C18H21N3OS (327.14052560000005)
N-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)acrylamide
C19H21NO4 (327.14705060000006)
2,2-dimethyl-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]propanamide
C18H21N3OS (327.14052560000005)
3-Hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
C19H21NO4 (327.14705060000006)
[4-(2-Ethoxyphenyl)-1-piperazinyl]-(1-oxido-4-pyridin-1-iumyl)methanone
3-[2-Methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole
1-[(2,4-Dimethoxy-3-methylphenyl)methyl]-4-(2-pyridinyl)piperazine
2-Furancarboxylic acid [2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester
C19H21NO4 (327.14705060000006)
3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
N-[2-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
C20H25NO3 (327.18343400000003)
Thr-Ala-His
C13H21N5O5 (327.15426160000004)
A tripeptide composed of L-threonine, L-alanine, and L-histidine joined by peptide linkages.
2-[4-(Cyclohexylsulfamoyl)-2-methylphenoxy]acetic acid
N-(2,4-dimethylphenyl)-4-{2-[(5-methyl-2-furyl)methylene]hydrazino}-4-oxobutanamide
[1-(Dimethylamino)-2-methylpropan-2-yl] 2-hydroxy-2,2-diphenylacetate
C20H25NO3 (327.18343400000003)
4-[4-[(4-Fluorophenyl)methyl]-1-piperidinyl]thieno[2,3-d]pyrimidine
C18H18FN3S (327.12054000000006)
(2R,3R,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
(2R,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile
(1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinoline-2-carboxamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
(2S,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile
(2S,3S,4S)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile
(1S,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinoline-2-carboxamide
(1R,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinoline-2-carboxamide
(1R,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinoline-2-carboxamide
2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-L-cysteinamide
N(2)-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]-N-butyl-L-alaninamide
C13H21N5O3S (327.1365036000001)
7-(diethylamino)-3,4-dioxo-10H-phenoxazine-1-carboxamide
(11Z)-10,11-Dihydro-8-(1-methylethyl)-11-(2-methylpropylidene)-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione
(3-Butanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
2-Aminoethyl (2-hydroxy-3-octoxypropyl) hydrogen phosphate
C13H30NO6P (327.18106500000005)
(2-Hydroxy-3-pentoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
C13H30NO6P (327.18106500000005)
3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-2-hydroxypropyl heptanoate
1,2,10-Trimethoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-9-ol
C19H21NO4 (327.14705060000006)
1-[(2E,8E)-9-(3,4-methylenedioxyphenyl)-2,8-nonadienoyl]pyrrolidine
C20H25NO3 (327.18343400000003)
A natural product found in Piper boehmeriaefolium.
N-(1-Deoxy-1-fructosyl)phenylalanine
C15H21NO7 (327.13179560000003)
An L-phenylalanine derivative in which one of the amino hydrogens of L-phenylalanine has been replaced by a 1-fructosyl group.
Normorphinone, N-allyl-dihydro-14-hydroxy-
C19H21NO4 (327.14705060000006)
1-pentyl-sn-glycero-3-phosphocholine
C13H30NO6P (327.18106500000005)
GLUT1-IN-2
GLUT1-IN-2 (compound 17) is a GLUT1 inhibitor with an IC50 value of 12 μM. GLUT1-IN-2 shows inhibitory effect to Plasmodium falciparum hexose transporter PfHT with an IC50 value of 13 μM. GLUT1-IN-2 can be used for the research of infection[1].
Zelquistinel
Zelquistinel (AGN-241751) is a N-methyl-D-aspartate (NMDA) receptor partial agonist used for the research of depression, anxiety and other related psychiatric disorders[1].