Exact Mass: 297.1576
Exact Mass Matches: 297.1576
Found 500 metabolites which its exact mass value is equals to given mass value 297.1576,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-oxo-C12 homoserine lactone
CONFIDENCE standard compound; INTERNAL_ID 211
Oripavine
Alkaloid from opium poppy (Papaver somniferum). Oripavine is found in many foods, some of which are redcurrant, teff, muscadine grape, and date. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Oripavine is an alkaloid from opium poppy (Papaver somniferum
neopinone
The beta,gamma-unsaturated ketone resulting from the hydrolysis of the methyl enol ether group of thebaine. It is a key intermediate in the biosynthesis of codeine and morphine in the opium poppy, Papaver somniferum.
3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime
(±)-Aegeline
(±)-Aegeline is found in fruits. (±)-Aegeline is an alkaloid from the leaves of Aegle marmelos (bael). Alkaloid from the leaves of Aegle marmelos (bael). (±)-Aegeline is found in fruits. Aegeline, a main alkaloid, mimics the yeast SNARE protein Sec22p in suppressing α-synuclein and Bax toxicity in yeast. Aegeline restores growth of yeast cells suppressed by either αsyn or Bax. Antioxidant activity[1]. Aegeline, a main alkaloid, mimics the yeast SNARE protein Sec22p in suppressing α-synuclein and Bax toxicity in yeast. Aegeline restores growth of yeast cells suppressed by either αsyn or Bax. Antioxidant activity[1].
Duloxetine
Duloxetine (brand names Cymbalta, Yentreve, and in parts of Europe, Xeristar or Ariclaim) is a drug which primarily targets major depressive disorder (MDD), generalized anxiety disorder (GAD), pain related to diabetic peripheral neuropathy and in some countries stress urinary incontinence (SUI). It is manufactured and marketed by Eli Lilly and Company. Duloxetine has not yet been FDA approved for stress urinary incontinence or for fibromyalgia. Duloxetine is a selective SNRI (selective serotonin-norepinephrine reuptake inhibitor). Duloxetine is a systemic drug therapy which affects the body as a whole. Known also under the code name LY248686, it is a potent dual reuptake inhibitor of serotonin (5-hydroxytryptamine, 5-HT) and norepinephrine (NE), possessing comparable affinities in binding to NE- and 5-HT transporter sites. It is a less potent inhibitor of dopamine reuptake. D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
(±)-Clausenamide
Neoclausenamide is found in fruits. Neoclausenamide is isolated from Clausena lansium (wampee). Isolated from the leaves of Clausena lansium (wampee). (±)-Clausenamide is found in fruits.
Lansamide 3
Lansamide 3 is found in fruits. Lansamide 3 is a constituent of Clausena lansium (wampee) Constituent of Clausena lansium (wampee). Lansamide 3 is found in fruits.
(+)-Erythraline
(+)-Erythraline is found in green vegetables. (+)-Erythraline is an alkaloid from Erythrina glauca (gallito) Alitretinoin (9-cis-retinoic acid) is a naturally-occurring endogenous retinoid indicated for topical treatment of cutaneous lesions in patients with AIDS-related Kaposis sarcoma. Alitretinoin inhibits the growth of Kaposis sarcoma (KS) cells in vitro. Retinoic acid is the oxidized form of Vitamin A. It functions in determining position along embryonic anterior/posterior axis in chordates. It acts through Hox genes, which ultimately control anterior/posterior patterning in early developmental stages. Retinoic acid acts by binding to heterodimers of the retinoic acid receptor (RAR) and the retinoid X receptor (RXR), which then bind to retinoic acid response elements (RAREs) in the regulatory regions of direct targets (including Hox genes), thereby activating gene transcription. Retinoic acid receptors mediate transcription of different sets of genes of cell differentiation, thus it also depends on the target cells. (+)-Erythraline is one of the target genes is the gene of the retinoic acid receptor itself which occurs during positive regulation. Control of retinoic acid levels is maintained by a suite of proteins. Retinoic acid is the oxidized form of Vitamin A. It functions in determining position along embryonic anterior/posterior axis in chordates. It acts through Hox genes, which ultimately controls anterior/posterior patterning in early developmental stages (PMID: 17495912). It is an important regulator of gene expression during growth and development, and in neoplasms. Tretinoin, also known as retinoic acid and derived from maternal vitamin A, is essential for normal growth and embryonic development. (+)-Erythraline is an excess of tretinoin can be teratogenic. It is used in the treatment of psoriasis; acne vulgaris; and several other skin diseases. It has also been approved for use in promyelocytic leukemia (leukemia, promyelocytic, acute)
Phenethylamine glucuronide
Phenethylamine glucuronide is a natural human metabolite of Phenethylamine generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Phenethylamine glucuronide is a natural human metabolite of Phenethylamine generated in the liver by UDP glucuonyltransferase.
2-(4-Methyl-5-thiazolyl)ethyl decanoate
2-(4-Methyl-5-thiazolyl)ethyl decanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
mono-isopropyl-disopyramide
mono-isopropyl-disopyramide is a metabolite of disopyramide. Disopyramide (trade names Norpace and Rythmodan) is an antiarrhythmic medication used in the treatment of Ventricular Tachycardia. It is a sodium channel blocker and therefor classified as a Class 1a anti-arrhythmic agent. ’ Disopyramide has a negative inotropic effect on the ventricular myocardium, significantly decreasing the contractility. Disopyramide also has an anticholinergic effect on the heart which accounts for many adverse side effects. (Wikipedia) D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
Nona-4,6-dienoylcarnitine
Nona-4,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an nona-4,6-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. nona-4,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-4,6-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].
Nona-2,5-dienoylcarnitine
Nona-2,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an nona-2,5-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. nona-2,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-2,5-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].
Nona-5,7-dienoylcarnitine
Nona-5,7-dienoylcarnitine is an acylcarnitine. More specifically, it is an nona-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. nona-5,7-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-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].
Nona-3,6-dienoylcarnitine
Nona-3,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an nona-3,6-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. nona-3,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-3,6-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].
Nona-4,7-dienoylcarnitine
Nona-4,7-dienoylcarnitine is an acylcarnitine. More specifically, it is an nona-4,7-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. nona-4,7-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-4,7-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].
Nona-3,5-dienoylcarnitine
Nona-3,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an nona-3,5-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. nona-3,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-3,5-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].
Nona-3,7-dienoylcarnitine
Nona-3,7-dienoylcarnitine is an acylcarnitine. More specifically, it is an nona-3,7-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. nona-3,7-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-3,7-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].
Nona-2,7-dienoylcarnitine
Nona-2,7-dienoylcarnitine is an acylcarnitine. More specifically, it is an nona-2,7-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. nona-2,7-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-2,7-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,6E)-Nona-2,6-dienoylcarnitine
(2E,6E)-nona-2,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an (2E,6E)-nona-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,6E)-nona-2,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,6E)-nona-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].
Nona-2,4-dienoylcarnitine
Nona-2,4-dienoylcarnitine is an acylcarnitine. More specifically, it is an nona-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. nona-2,4-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-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].
(-)-alpha-5,9-Dimethyl-2-(3-furylmethyl)-2'-hydroxy-6,7-benzomorphane
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
Glaziovine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
Ibuprofen piconol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
codeinone
Codeinone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Codeinone can be found in a number of food items such as japanese chestnut, leek, squashberry, and redcurrant, which makes codeinone a potential biomarker for the consumption of these food products. Codeinone is 1/3 as active as codeine as an analgesic but it is an important intermediate in the production of hydrocodone, a painkiller about 3/4 the potency of morphine; as well as of oxycodone. The latter can also be synthesized from thebaine, however .
neopinone
Neopinone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Neopinone can be found in a number of food items such as root vegetables, fig, green bean, and cucurbita (gourd), which makes neopinone a potential biomarker for the consumption of these food products.
Stepharine
An isoquinoline alkaloid with formula C18H19NO3 that is isolated from several species of Stephania. Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Aporphine alkaloids, Proaporphine alkaloids Stepharine is a natural product found in Cocculus, Cocculus laurifolius, and other organisms with data available.
(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one
(+-)-northebaine|(+/-)-Northebain|4,5alpha-epoxy-3,6-dimethoxy-morphina-6,8(14)-diene|Northebain|northebaine|rac-4,5alpha-epoxy-3,6-dimethoxy-morphina-6,8(14)-diene|Thebain
L-glutamic acid 5-[(2,4-dimethoxyphenyl)-hydrazide]
(E, E, E)-1-Piperettylpyrrolidine|1-piperettyl pyrrolidine|1-[1-Oxo-7(3,4-methylenedioxyphenyl)-2E,4E,6E-heptatrienyl]pyrrolidine|1-[1-oxo-7-(3,4-methylenedioxyphenyl)-2E,4E,6E-heptatrienyl]-pyrrolidine|N-pyrrolidyl-7-(3,4-methylenedioxyphenyl)hepta-2,4,6-trienamide
(6RS,11SR)-(2E,7E,9E)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)-2,7,9-dodecatrienamide|ZP-amide E
2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,11-diol|Isothebaidin
4-hydroxyphenylethanamide-alpha-L-rhamnopyranoside|marumoside A
dimethyl 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]pentanedioate
2-benzyl-5-hydroxy-3-methyl-6-phenyl-1,3-oxazinan-4-one|claulansamide A
2,2-dimethyl-10-(3-methyl-but-2-enyl)-2,3,4,10-tetrahydro-pyrano[2,3-b]quinolin-5-one|Haplobucharin|Haplobucharine
4-ethyl-9,13-dihydroxy-10-methoxy-5-methyl-11-oxa-4-aza-tricyclo[8.2.1.02,5]tridec-1-en-3-one|phyllostictine B
(-)-Roemeronin|(1S)-3-methyl-(1rC2,2ac)-2a,3,4,5-tetrahydro-2H-spiro[cyclohex-2-ene-1,1-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one|remeronine|Roemeronin|roemeronine
L-Clausenamide
L-Clausenamide is a natural product found in Clausena lansium with data available.
(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
2-(3-hexyl-4-methyl-2,5-dioxopyrrol-1-yl)-3-hydroxybutanoic acid
(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one
(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate
Duloxetine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 2735 CONFIDENCE standard compound; INTERNAL_ID 8509
(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate
N-(3-Oxododecanoyl)-L-homoserine lactone
An N-acyl-L-homoserine lactone having 3-oxododecanoyl as the acyl substituent.
(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one [IIN-based on: CCMSLIB00000847050]
(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide [IIN-based on: CCMSLIB00000845287]
(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide [IIN-based: Match]
(2S,3S,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one [IIN-based: Match]
CP-409092
CONFIDENCE standard compound; INTERNAL_ID 538; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3075; ORIGINAL_PRECURSOR_SCAN_NO 3073 CONFIDENCE standard compound; INTERNAL_ID 538; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3089; ORIGINAL_PRECURSOR_SCAN_NO 3087 CONFIDENCE standard compound; INTERNAL_ID 538; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3061; ORIGINAL_PRECURSOR_SCAN_NO 3060 CONFIDENCE standard compound; INTERNAL_ID 538; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3079; ORIGINAL_PRECURSOR_SCAN_NO 3077 CONFIDENCE standard compound; INTERNAL_ID 538; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3075; ORIGINAL_PRECURSOR_SCAN_NO 3074 CONFIDENCE standard compound; INTERNAL_ID 538; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3072; ORIGINAL_PRECURSOR_SCAN_NO 3071
Erythraline
4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acetic acid
(2S,3S,4S)-3,4-Dihydroxy-6-methoxy-3-methyl-7-methylene-2-pentyl-3,4,6,7-tetrahydropyrano[2,3-c]pyrrol-5(2H)-one
7-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-yl)-1H-quinolin-4-one
1-TERT-BUTYL 4-ETHYL 4-ALLYLPIPERIDINE-1,4-DICARBOXYLATE
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
b-D-Glucopyranose,2-deoxy-2-[[(4-methoxyphenyl)methylene]amino]-
(S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
1,3-Piperidinedicarboxylic acid, 3-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) 3-ethyl ester
3-[(tert-butoxy)carbonyl]-3-azaspiro[5.5]undecane-9-carboxylic acid
Ethyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate
tert-Butyl 4-(6-chloropyridin-3-yl)piperazine-1-carboxylate
3-(Benzyl(methyl)amino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
4-Amino-5-chloro-2-methoxy-N-((piperidin-4-yl)methyl)benzamide
N-Methyl-4-Benzenesulfonamideboronic Acid Pinacol Ester
4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol
9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(ethoxycarbonyl)-7-oxo-, ethyl ester
2-Methanesulfonylaminophenylboronic acid, pinacol ester
(2RS)-2-Cyclohexyl-2-(4-Methoxyphenyl)-N,NdimethylethanamineHydrochloride
3-(dimethylamino)-2-methyl-1-(3-phenylmethoxyphenyl)propan-1-one
6-(3,5-Dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
2-TERT-BUTOXYCARBONYLAMINO-4,5-DIMETHOXYBENZOIC ACID
9-(1-benzothiophen-2-yl)-3-methyl-3-azaspiro[5.5]undec-9-ene
N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine,hydrochloride
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
(R)-TERT-BUTYL (4-CHLORO-3-OXO-1-PHENYLBUTAN-2-YL)CARBAMATE
Ethyl 1-benzyl-5-hydroxy-1,2,3,6-tetrahydro-4-pyridinecarboxylate hydrochloride (1:1)
2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate
1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine
3-(4-Fluorophenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carboxamide
5-[(4-aminophenyl)methyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-phenylpropanamide
tert-Butyl [[4-(2-pyridinyl)phenyl]methylene]hydrazinecarboxylate
ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate
TERT-BUTYL (7-CYANO-1,2,3,4-TETRAHYDROCYCLOPENTA[B]INDOL-2-YL)CARBAMATE
(2S,4R)-1-TERT-BUTYL 2-ETHYL 4-ALLYL-5-OXOPYRROLIDINE-1,2-DICARBOXYLATE
1,3,4-Triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene
2-Methyl-2-propanyl 3-ethyl-3-methyl-1-oxo-2-oxa-7-azaspiro[4.5]d ecane-7-carboxylate
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride
tert-butyl N-[2-amino-2-(4-cyanophenyl)ethyl]carbamate,hydrochloride
tert-butyl N-[2-amino-2-(2-cyanophenyl)ethyl]carbamate
tert-butyl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate
2-(4-cyclohexylpiperazin-1-yl)-2-oxoethanamine dihydrochloride
3-(METHANESULFONYLAMINO)PHENYLBORONIC ACID PINACOL ESTER
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PHENOXYPYRIDINE
Benzenamine,4-(9H-fluoren-9-ylidenemethyl)-N,N-dimethyl-
buta-1,3-diene,2-methylprop-2-enoic acid,prop-2-enenitrile,styrene
N,N-DIMETHYL-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANAMINE HYDROCHLORIDE
1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium inner salt
4-[4-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzoic acid
5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-2-methylpyrimidin-4-amine
1-(Isopropylamino)-3-{4-[(2-methoxyethoxy)methyl]phenoxy}-2-propanol
Benzenemethanamine, α-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-α-ethenyl-, (αS)-
5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-1H-benzo[d]imidazole
(1-Methyl-4-piperidinyl)[1-(2-phenylethyl)-1H-imidazol-2-yl]methanone
2-Azaspiro[5.5]undecan-2,9-dicarboxylic acid 2-tert-butyl ester
N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
1-Piperazinecarboxylic acid, 4-(2-chloro-4-pyridinyl)-, 1,1-dimethylethyl ester
2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]acetic acid
Phenyl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol-1-yl)methanone
N-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
2-AMINO-3-CARBAMOYL-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRIDINE-6-CARBOXYLIC ACID TERT-BUTYL ESTER
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)piperidine-4-carboxylic acid
2,3-dimethoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
4-(5-Formyl-thiazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
manganese(2+),1,2,3,5-tetramethylcyclopenta-1,3-diene
Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
1-Piperidinecarboxylic acid, 4-(3-ethoxy-3-oxo-1-propyn-1-yl)-4-hydroxy-, 1,1-dimethylethyl ester
Bimoclomol
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent
Hexylcaine hydrochloride
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(3S,4aR,6R,8aR)-6-(2-(1H-Tetrazol-5-yl)ethyl)decahydroisoquinoline-3-carboxylic acid monohydrate
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-propoxyethyl)acetamide
2(1H)-Quinolinone, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
(N-(3-Fluorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
1-(2,3-dimethyl-1H-indol-1-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
1H-Indole-3-carboxamide, 4,5,6,7-tetrahydro-N-(4-((methylamino)methyl)phenyl)-4-oxo-
3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
N-[2-(1-phenyl-1H-pyrazol-3-yl)ethyl]cyclohexanecarboxamide
6-(2,6-Dimethoxyphenyl)pyrido[2,3-D]pyrimidine-2,7-Diamine
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
3-[(4-Amino-1-tert-butyl-1H-pyrazolo[3,4-D]pyrimidin-3-YL)methyl]phenol
(2s)-4-(4-Fluorobenzyl)-N-(2-Sulfanylethyl)piperazine-2-Carboxamide
(1S)-1-(9-Deazaadenin-9-YL)-1,4,5-trideoxy-1,4-imino-5-methylthio-D-ribitol
Ibuprofen piconol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3,4-Dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one
4-[(2-aminoacetyl)amino]-N-(2,6-dimethylphenyl)benzamide
2-chloro-N-(2,6-diethylphenyl)-N-(isopropoxymethyl)acetamide
(2R,3R,4S,5S)-4-amino-2-[6-(dimethylamino)-6,7-dihydro-3H-purin-9-ium-9-yl]-5-(hydroxymethyl)oxolan-3-ol
(2S)-2-[[(2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienyl]amino]pentanedioic acid
4H-Dibenzo(de,g)quinolin-3-ol, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (R)-
5-Methyl-2-phenyl-5-(2-phenylethyl)-1,2,4-triazolidine-3-thione
3-methyl-N-[oxo-[(2,4,6-trimethyl-3-pyridinyl)amino]methyl]benzamide
2-[(2-hydroxy-3-methoxyphenyl)methylene]-N-(3-methoxypropyl)hydrazine-1-carbothioamide
1-(1-Naphthalenyl)-3-[3-(1-pyrrolidinyl)propyl]urea
N-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-phenoxyacetohydrazide
2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione
2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid ethyl ester
2-(D-alanylamino)-N-[(1S)-1-hydroxy-3-mercaptopropyl]benzamide
5-tert-butyl-N-(2,3-dihydro-1H-inden-2-yl)-2-methyluran-3-carboxamide
1-[(2-Methoxyphenyl)methyl]-4-(3-pyridinylmethyl)piperazine
Noribogaine(1+)
A tertiary ammonium ion resulting from the protonation of the tertiary amino group of noribogaine.
(4R,7aR,12bS)-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
1-(4-Fluorophenyl)-2-phenyl-3-(1-pyrrolidinyl)-1-propanone
(2S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-(trimethylazaniumyl)butanoate
(1S,7R,14S)-9-hydroxy-15,17-diazatetracyclo[12.2.2.1(3,7).1(8,12)]icosa-3(20),4,6,10,12(19)-pentaen-6-one
2-(3-Hexyl-4-methyl-2,5-dioxopyrrol-1-yl)-3-hydroxybutanoic acid
phenyl N-acetyl-beta-D-glucosaminide
An N-acetyl-beta-D-glucosaminide having phenyl as the anomeric substituent.
4-(Isopropylamino)-2-(2-pyridyl)-2-phenylbutyramide
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
N-Methyl-gamma-(1-naphthalenyloxy)-2-thiophenepropanamine
1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10-ol
phenyl N-acetyl-alpha-D-glucosaminide
An N-acetyl-alpha-D-glucosaminide having phenyl as the anomeric substituent.
fusarithioamide A
A member of the class of benzamides that is 2-aminobenzoic acid in which the hydrogen atom of the carboxy group has been substituted by a [(1S)-1-hydroxy-3-mercaptopropyl]nitrilo group and in which one of the the hydrogens of the amino group has been substituted by a (2R)-2-aminopropanoyl group. It is a metabolite isolated from the endophytic fungus, Fusarium chlamydosporium.
all-trans-3,4-didehydroretinoate(1-)
A monocarboxylic acid anion derived from 3,4-desaturation of beta-ionone ring of all-trans-retinoate; major species at pH 7.3.
(8R)-13-methoxy-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,14-diol
3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine)
A natural product found in Haplophyllum tuberculatum and Euodia roxburghiana.
Bufuralol (hydrochloride)
Bufuralol (Ro 3-4787) hydrochloride is a potent non-selective, orally active β-adrenoreceptor antagonist with partial agonist activity. Bufuralol hydrochloride is a CYP2D6 probe substrate[1][2].
(1r,5s,13s)-10,14-dimethoxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18),14,16-pentaene
15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-14-ol
(2e,6z,8e,10r,11s)-10,11-dihydroxy-n-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienimidic acid
(2e)-n-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enimidic acid
6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline
3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2h,4h-pyrano[2,3-c]pyrrol-5-one
3,4,5-trihydroxy-6-methyloxan-2-yl 2-(methylamino)benzoate
6-hydroxy-4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]-4,5-dihydro-3h-pyridin-2-one
(12bs)-10-methoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-4,11-diol
(4's)-11'-hydroxy-10'-methoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one
10'-hydroxy-11'-methoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),2,5,8',10'-pentaen-4-one
(2s,4r)-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2,4-dimethylhexan-1-one
(2s,4e)-5-hydroxy-4-(1-hydroxydecylidene)-2-(2-hydroxyethyl)-2h-pyrrol-3-one
n-[(2s)-1-butoxy-3-hydroxy-1-oxopropan-2-yl]-2,3-dihydroxybenzenecarboximidic acid
11'-methyl-3',5'-dioxa-11'-azaspiro[cyclohexane-1,14'-tetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadecane]-1'(15'),2,2'(6'),7'-tetraen-4-one
14-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18),14,16-pentaen-10-ol
10',11'-dimethoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one
(3r,4r,5s)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
10-methoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-2,11-diol
(9s)-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-4-ol
(3s,4s,5s)-3-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
(7as)-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-ylmethyl (2r,3s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylpentanoate
15-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-3,16-diol
(2r,3s)-1-(4-hydroxyphenyl)-4-(1h-indol-3-yl)butane-2,3-diol
(3r,4s,5r,6r,10z)-3,4,6-trihydroxy-2-methoxy-3-methyl-10-propylidene-2-azaspiro[4.5]dec-8-ene-1,7-dione
(3r,4r,5s,6r,10z)-3,4,6-trihydroxy-2-methoxy-3-methyl-10-propylidene-2-azaspiro[4.5]dec-8-ene-1,7-dione
(5s)-3-[(2r)-1-hydroxy-2-methyloctylidene]-5-[(1s)-1-hydroxyethyl]-1-methylpyrrolidine-2,4-dione
(3r,4r,5r)-3-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
(3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
(2R,3R,4R,5R,6S)-2-methyl-6-[4-(2-methylaminoethyl)phenoxy]tetrahydropyran-3,4,5-triol
{"Ingredient_id": "HBIN006415","Ingredient_name": "(2R,3R,4R,5R,6S)-2-methyl-6-[4-(2-methylaminoethyl)phenoxy]tetrahydropyran-3,4,5-triol","Alias": "(2R,3R,4R,5R,6S)-2-methyl-6-[4-(2-methylaminoethyl)phenoxy]oxane-3,4,5-triol","Ingredient_formula": "C15H23NO5","Ingredient_Smile": "NA","Ingredient_weight": "297.35","OB_score": "36.69610755","CAS_id": "111537-50-9","SymMap_id": "SMIT08970","TCMID_id": "NA","TCMSP_id": "MOL007560","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
