Exact Mass: 301.1703
Exact Mass Matches: 301.1703
Found 500 metabolites which its exact mass value is equals to given mass value 301.1703,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
febrifugine
Isofebrifugine is a member of quinazolines. Isofebrifugine is a natural product found in Hydrangea febrifuga and Hydrangea macrophylla with data available. Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1]. Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1].
Haemanthamine
Haemanthamine is an alkaloid. Hemanthamine is a natural product found in Sternbergia clusiana, Cyrtanthus elatus, and other organisms with data available.
Oxymorphone
An opioid analgesic with actions and uses similar to those of morphine, apart from an absence of cough suppressant activity. It is used in the treatment of moderate to severe pain, including pain in obstetrics. It may also be used as an adjunct to anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1092) D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Dobutamine
Dobutamine is only found in individuals that have used or taken this drug. It is a beta-2 agonist catecholamine that has cardiac stimulant action without evoking vasoconstriction or tachycardia. It is proposed as a cardiotonic after myocardial infarction or open heart surgery. [PubChem]Dobutamine directly stimulates beta-1 receptors of the heart to increase myocardial contractility and stroke volume, resulting in increased cardiac output. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents KEIO_ID D185; [MS2] KO008933 KEIO_ID D185
Fenoxycarb
CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8907; ORIGINAL_PRECURSOR_SCAN_NO 8906 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8952; ORIGINAL_PRECURSOR_SCAN_NO 8951 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8971; ORIGINAL_PRECURSOR_SCAN_NO 8969 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8961; ORIGINAL_PRECURSOR_SCAN_NO 8960 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8995; ORIGINAL_PRECURSOR_SCAN_NO 8993 CONFIDENCE standard compound; INTERNAL_ID 1161; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8919 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2940 CONFIDENCE standard compound; INTERNAL_ID 2588 CONFIDENCE standard compound; INTERNAL_ID 8460 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Furalaxyl
CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8846; ORIGINAL_PRECURSOR_SCAN_NO 8845 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8961; ORIGINAL_PRECURSOR_SCAN_NO 8960 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8881; ORIGINAL_PRECURSOR_SCAN_NO 8877 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8856; ORIGINAL_PRECURSOR_SCAN_NO 8854 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8879; ORIGINAL_PRECURSOR_SCAN_NO 8875 CONFIDENCE standard compound; INTERNAL_ID 1281; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8851; ORIGINAL_PRECURSOR_SCAN_NO 8850 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3113
Genomorphine
Genomorphine is an alkaloid from Papaver somniferum (opium poppy
(E,E)-Futoamide
(2E,6E)-7-(1,3-benzodioxol-5-yl)-N-isobutyl-2,6-heptadienamide is a member of benzodioxoles. (E,E)-Futoamide is a natural product found in Piper longum with data available. (E,E)-Futoamide is found in herbs and spices. (E,E)-Futoamide is an alkaloid from Piper longum (long pepper Alkaloid from Piper longum (long pepper). (E,E)-Futoamide is found in herbs and spices.
Noroxycodone
Noroxycodone 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
(6E)-Piperamide-C7:1
(6E)-Piperamide-C7:1 is found in herbs and spices. (6E)-Piperamide-C7:1 is a constituent of pepper fruits (Piper nigrum). Constituent of pepper fruits (Piper nigrum). (6E)-Piperamide-C7:1 is found in herbs and spices.
Prolyl-Tryptophan
Prolyl-Tryptophan is a dipeptide composed of proline and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Tryptophyl-Proline
Tryptophyl-Proline is a dipeptide composed of tryptophan and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Ractopamine
Ractopamine (CAS: 97825-25-7) is a beta-agonist livestock feed additive used to increase lean muscle mass. Pharmacologically, ractopamine is a TAAR1 agonist and beta adrenoreceptor agonist that stimulates beta1 and beta2 adrenergic receptors (PMID: 24799633). In clinical use, beta-agonists relax the smooth muscles of airways, thereby resulting in bronchodilation (i.e. widened airways) and easier breathing. In livestock feed, these compounds are able to alter the ratio in which dietary energy intake is distributed between lean and fat tissue. Increasing protein synthesis results in increased muscle fibre size. Ractopamine is banned in over 160 countries including the member nations of the European Union, China, and Russia. Countries such as the United States and South Korea still permit ractopamine use (PMID: 26761809). Serious side effects, including mortality, have been attributed to beta-agonists (e.g. ractopamine and zilpaterol) in cattle and swine. Cooking is not able to completely degrade ractopamine, therefore human exposure to ractopamine is expected in countries where the feed additive is permitted. In humans, beta-agonists containing phenolic hydroxyl groups, are metabolized in the liver and intestine through glucuronidation and sulfation by UDP-glucuronosyltransferase (UGT) 1A6 and 1A9 and sulfotransferase (SULT1A3). Ractopamine is eliminated in urine mostly as its monoglucuronide and monosulfate conjugates (PMID: 27641640). Butopamine, the R,R diastereoisomer, is the most active of ractopamines four diastereoisomers and is responsible for most of the leanness-enhancing effects. C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
3-Hydroxy-cis-5-octenoylcarnitine
3-Hydroxy-cis-5-octenoylcarnitine is an acylcarnitine. More specifically, it is an 3-Hydroxy-cis-5-octenoic 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-Hydroxy-cis-5-octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Hydroxy-cis-5-octenoylcarnitine 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].
Hept-4-enedioylcarnitine
Hept-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an hept-4-enedioic 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. Hept-4-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine Hept-4-enedioylcarnitine 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)-Hept-2-enedioylcarnitine
(2E)-hept-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-hept-2-enedioic 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)-hept-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-hept-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2-Hydroxy-5-octenoylcarnitine
2-Hydroxy-5-octenoylcarnitine is an acylcarnitine. More specifically, it is an 2-hydroxyoct-5-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 2-Hydroxy-5-octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-Hydroxy-5-octenoylcarnitine 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].
4-Hydroxy-6-octenoylcarnitine
4-Hydroxy-6-octenoylcarnitine is an acylcarnitine. More specifically, it is an 4-hydroxyoct-6-enoic 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. 4-Hydroxy-6-octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Hydroxy-6-octenoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxy-6-octenoylcarnitine
3-Hydroxy-6-octenoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyoct-6-enoic 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-Hydroxy-6-octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Hydroxy-6-octenoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2-Hydroxy-4-octenoylcarnitine
2-Hydroxy-4-octenoylcarnitine is an acylcarnitine. More specifically, it is an 2-hydroxyoct-4-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 2-Hydroxy-4-octenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-Hydroxy-4-octenoylcarnitine 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].
5-Oxooctanoylcarnitine
5-oxooctanoylcarnitine is an acylcarnitine. More specifically, it is an 5-oxooctanoic 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. 5-oxooctanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-oxooctanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-Oxooctanoylcarnitine
7-oxooctanoylcarnitine is an acylcarnitine. More specifically, it is an 7-oxooctanoic 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. 7-oxooctanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-oxooctanoylcarnitine 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].
6-Oxooctanoylcarnitine
6-oxooctanoylcarnitine is an acylcarnitine. More specifically, it is an 6-oxooctanoic 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. 6-oxooctanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-oxooctanoylcarnitine 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].
4-Oxooctanoylcarnitine
4-oxooctanoylcarnitine is an acylcarnitine. More specifically, it is an 4-oxooctanoic 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. 4-oxooctanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-oxooctanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Oxooctanoylcarnitine
3-oxooctanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxooctanoic 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-oxooctanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-oxooctanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2Z)-2-(Propan-2-yl)but-2-enedioylcarnitine
(2Z)-2-(propan-2-yl)but-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2Z)-2-(propan-2-yl)but-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2Z)-2-(propan-2-yl)but-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2Z)-2-(propan-2-yl)but-2-enedioylcarnitine 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].
(1R,9R,13R)-1,13-Dimethyl-10-[[(2R)-oxolan-2-yl]methyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
1-[(5-Methoxy-3-indolylidene)methylamino]-2-pentylguanidine
2,5-Dimethoxy-N-((2-methoxyphenyl)methyl)benzeneethanamine
Amotosalen
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D003879 - Dermatologic Agents
Augustamine
Dihydroneopine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
4-[(4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
D004396 - Coloring Agents > D012394 - Rosaniline Dyes
1-[[(Z)-[5-(Hydroxymethyl)indol-3-ylidene]methyl]amino]-2-pentylguanidine
6-trans-Piperamide-C-7-1
6-trans-piperamide-c-7-1 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. 6-trans-piperamide-c-7-1 is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 6-trans-piperamide-c-7-1 can be found in pepper (spice), which makes 6-trans-piperamide-c-7-1 a potential biomarker for the consumption of this food product.
Febrifugine
Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1]. Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1].
RACTOPAMINE
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists CONFIDENCE standard compound; INTERNAL_ID 1103
N4-[1-Adamantyl(imino)methyl]-3,5-dimethylisoxazole-4-carboxamide
{3-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-2-oxiranyl}(1-piperidinyl)methanone
Pyrilamine N-oxide
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1701
5,8,9-trimethoxy-2,2-dimethyl-2h-pyrano[2,3-b]quinoline
7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,4-dienamide
(2R)-3-(2,3-Dihydroxy-3-methylbutyl)-5-(3-methylcrotonoyl)indole|(R)-3-(2,3-dihydroxy-3-methylbutyl)-5-(3-methyl-1-oxo-2-butenyl)indole
(-)-Amarbellisine|(1S,3aS,12bS,12cS)-1-ol-2-methoxy-3a,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine|amarbellisine
(E,E)-2,4-decadienoic acid p-methoxyphenethylamide
N-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)benzamide
(E,E)-6-(4-Methoxyphenyl)-N-(3-methylbutyl)-2-oxo-3,5-hexadienamide
1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine|Piperamide-C7:1(6E)
3beta,6-dimethoxy-10-methyl-galantham-1-ene|galanthamine|Galanthaminmethylaether|O-methyl-chlidanthine|O-methyl-galanthamine
(-)-[4aS-(4aalpha,6beta,8aR)]-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepine-6-ol|galanthamine
(+-)-8,9,11,12-Tetrahydroglaziovin|(+-)-Tetrahydroglaziovin|N-Methyl-dihydro-crotsparinin|N-Methyltetrahydrocrotsparine|Tetrahydro-glaziovin
2-acetoxy-2-((R)-4-methoxy-2,3-dihydro-furo[2,3-b]quinolin-2-yl)-propane|O-acetyl-platydesmine|Platydesmin-acetat
3-acetoxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinoline|O-Acetyl-geibalansin|O-acetyl-geibalansine|O-Acetylgeibalansine
N-<8-(4-methoxyphenylethyl)>-2-hydroxy-6-methoxybenzoylamide|N-[8-(4-methoxyphenylethyl)]-2-hydroxy-6-methoxybenzoylamide
(3aS)-1t-hydroxy-(3arC4,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4,5:4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-2-one|Demethylcephalotaxin|Demethylcephalotaxine-(-)-form|O2-demethyl-cephalotaxine
7-(3-hydroxy-3-methyl-butyl)-4-methoxy-furo[2,3-b]quinolin-8-ol|Folifinin|Folifinine
2,9-Pentadecadiene-12,14-diynoic acid(2-hydroxyisobutyl)amide|pentadeca-2t,9c-dien-12,14-diynoic acid (2-hydroxyisobutyl)amide
Dihydrocodeine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 2178 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3333 INTERNAL_ID 2178; CONFIDENCE standard compound
dobutamine
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
PRI_302.1864_17.0
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1604
C17H19NO4_{3-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-2-oxiranyl}(1-piperidinyl)methanone
FENOXYCARB
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
oxymorphone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Tegaserod
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Tegaserod is an orally active serotonin receptor 4 (HTR4; 5-HT4R) agonist and a 5-HT2B receptor antagonist. Tegaserod has pKis of 7.5, 8.4 and 7.0 for human recombinant 5-HT2A, 5-HT2B and 5-HT2C receptors, respectively. Tegaserod causes tumor cell apoptosis, blunts PI3K/Akt/mTOR signaling and decreases S6 phosphorylation. Tegaserod has anti-tumor activity and has the potential for irritable bowel syndrome (IBS) research[1][2][3].
Trachelanthamine oxide
Origin: Plant; Formula(Parent): C15H27NO5; Bottle Name:Trachelanthine; PRIME Parent Name:Trachelanthine; PRIME in-house No.:V0316; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-ethyl-9-methyl-7-[(phenylacetyl)oxy]-
Cyclohexanone, 4-[1-hydroxy-1-phenyl-3-(1-pyrrolidinyl)propyl]-
Pro-TRP
A dipeptide formed from L-proline and L-tryptophan residues.
Noroxycodone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
TERT-BUTYL 2-((TERT-BUTOXYCARBONYL)AMINO)-4-(OXIRAN-2-YL)BUTANOATE
N-cyclopentyl-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzamide
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(methylsulfonylmethyl)phenol
Leu-Leu-Gly
A tripeptide composed of two L-leucine units and glycine joined in sequence by peptide linkages.
tert-Butyl 3-oxo-2,3-dihydrospiro[indene-1,4-piperidine]-1-carboxylate
(R)-3-(3-CYCLOPENTYL-1-OXOPROPYL)-(1-PHENYLMETHYL)-2-OXAZOLIDINONE
(2E)-N-(3,5-DIMETHYLPHENYL)-2-(HYDROXYIMINO)ACETAMIDE
8-N-BOC-AMINO-1,4-DIOXA-SPIRO[4.5]DECANE-8-CARBOXYLICACID
N-Cyclopropyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
N-cyclopropyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
1,4-Piperidinedicarboxylic acid, 4-(2-hydroxyethyl)-, 1-(1,1-dimethylethyl) 4-ethyl ester
1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-HYDROXY-4-PIPERIDINEPROPANOIC ACID ETHYL ESTER
3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-oxo-,phenylmethyl ester
Dilavase
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AA - 2-amino-1-phenylethanol derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
(R,R)-2,2-(2,6-PYRIDINEDIYL)BIS(4-ISOPROPYL-2-OXAZOLINE)
(1S,2S)-2-(Bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)cycloprop anecarboxylic acid
tert-butoxycarbonylamino-naphthalen-1-yl-acetic acid
(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
buta-1,3-diene,prop-2-enamide,prop-2-enoic acid,styrene
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,methyl 2-methylprop-2-enoate
PYRROLIDIN-1-YL(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANONE
PYRROLIDIN-1-YL(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANONE
TERT-BUTYL 3,4-DIHYDRO-2H-SPIRO[NAPHTHALENE-1,4-PIPERIDINE]-1-CARBOXYLATE
tert-butyl 4-(1H-indazol-5-yl)piperidine-1-carboxylate
2-(diethylamino)ethyl 4-ethoxybenzoate,hydrochloride
Acridine Orange hydrochloride
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D009676 - Noxae > D009153 - Mutagens
OXPRENOLOL HYDROCHLORIDE
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Oxprenolol hydrochloride (Ba 39089) is an orally bioavailable β-adrenergic receptor (β-AR) antagonist with a Ki of 7.10 nM in a radioligand binding assay using rat heart muscle[1].
tert-Butyl 4-pyrrolo[2,3-b]pyridin-1-ylpiperidin-1-carboxylate
tert-butyl spiro[chromene-2,4-piperidine]-1-carboxylate
Antazoline Hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Antazoline (Phenazoline) hydrochloride is a first-generation antihistamine that also has anticholinergic properties and is used to relieve nasal congestion and is also used as eye drops.
3-(2-METHOXYCARBONYL-VINYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid tert-butyl ester oxalate
(S)-tert-Butyl 3-(1H-benzo[d]imidazol-2-yl)piperidine-1-carboxylate
3-AMINO-3-(4-BENZYLOXY-3-METHOXY-PHENYL)-PROPIONIC ACID
3-(1,3-DIMETHYL-(4S,5S)-DIPHENYLIMIDAZOLIDIN-2-YL)PYRIDINE
ETHYL 1-CYCLOHEXYL-5-HYDROXY-2-METHYL-1H-INDOLE-3-CARBOXYLATE
3-cyclopentyloxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
4-(4-Ethoxy-benzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
tert-butoxycarbonylamino-naphthalen-2-yl-acetic acid
tert-Butyl 4-(2-cyano-4-methylphenyl)piperazine-1-carboxylate
N-ethyl-N-propan-2-ylpropan-2-amine,4-methylbenzenesulfonic acid
1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine,hydrochloride
tert-butyl-4-(1H-indol-3-yl)piperazine-1-carboxylate
Tert-Butyl 4-(Cyano(Phenyl)Methyl)Piperazine-1-Carboxylate
(4R,4aR,7S,7aR,12bS)-3,7-dimethyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine
6-chloro-N-cyclopentyl-2-methyl-5-(3-methylphenyl)pyrimidin-4-amine
1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
5-Methoxycarbonylindole-2-boronic acid pinacol ester
6-Methoxycarbonylindole-2-boronic acid pinacol ester
Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxylate
3-(1H-Benzimidazol-2-yl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
N-(1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)acetamide
Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carboxylate
N-(Furan-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
2-BENZYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
TERT-BUTYL 5-(3-METHOXY-3-OXOPROP-1-EN-1-YL)-1H-INDOLE-1-CARBOXYLATE
Benzenemethanol, 4-hydroxy-alpha-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)-
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Indolactam V
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams D009676 - Noxae > D002273 - Carcinogens
(R)-1-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol
1-[[(Z)-[5-(Hydroxymethyl)indol-3-ylidene]methyl]amino]-2-pentylguanidine
Levdobutamine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
4-Ethyl-5-hydroxy-7-methyl-6-(1-piperidinylmethyl)-1-benzopyran-2-one
N-(acetyloxy)-N-[(E)-(1-methyl-2-morpholino-1H-indol-3-yl)methylidene]amine
N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
5-[1-(Acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)pentonic acid
(S)-1-Phenyl-1-[4-(9h-Purin-6-Yl)phenyl]methanamine
7-[2-Methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-F] quinazoline-1,3-diamine
(2R,4S,5R,6R)-5-acetamido-4-amino-6-(diethylcarbamoyl)oxane-2-carboxylic acid
N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]acetamide
(4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
(1R,9R,13R)-1,13-Dimethyl-10-[[(2R)-oxolan-2-yl]methyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
(1S)-1-[(3,4-dihydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
(R)-1-(3,4-Dihydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-ol
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
(1R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
(2E,4E)-N-isobutyl-7-(3,4-methylenedioxyphenyl)-hepta-2,4-dienamide
A natural product found in Piper boehmeriaefolium.
(4-Hydroxy-6-oxo-1,6-dihydropyridin-2-yl)(phenyl)methyl 3-methylbutanoate
1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
Basic Orange 14
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D009676 - Noxae > D009153 - Mutagens
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one
3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-2-benzofuranyl)methanone
[(E)-1-[5-(2-methylpropoxymethyl)-2-oxooxolan-3-yl]propan-2-ylideneamino]thiourea
[(1R)-4-Oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
7-hydroxy-6-(4-morpholinylmethyl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
4-[[(2-Methyl-3-furanyl)-oxomethyl]amino]benzoic acid butyl ester
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
4-[(1R)-1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
N-[(2,4-Dimethylphenyl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
N-(4-{(E)-[2-(2-cyclohexylacetyl)hydrazono]methyl}phenyl)acetamide
N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-methyl-3-furancarboxamide
5-Amino-1-(2-cyanoethyl)-3-(1-naphthalenylmethyl)-4-pyrazolecarbonitrile
ethyl 3-[4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-3-yl]propanoate
N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.1(3,7).1(8,12)]icosa-3(20),12(19)-diene-6,9-dione
3-[3-(4-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
4-[(1R)-1-hydroxy-2-{[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl]phenol
4-[(1S)-1-hydroxy-2-{[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl]phenol
(2E)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]non-2-enoate
2-[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]-6-luoro-1H-benzimidazole
5-[4-(3-Acetamidopropylamino)butylamino]-5-oxopentanoic acid
(E,8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxynon-2-enoate
5-[3-(4-Acetamidobutylamino)propylamino]-5-oxopentanoic acid
Benzyl 5-ethoxymethyl-4-ethyl-3-methyl-2-carboxylate
4-[(4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
D004396 - Coloring Agents > D012394 - Rosaniline Dyes
butopamine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
2,5-Dimethoxy-N-((2-methoxyphenyl)methyl)benzeneethanamine
3-hydroxy-cis-5-octenoylcarnitine
An O-acylcarnitine having 3-hydroxy-cis-5-octenoyl as the acyl substituent.
saxitoxin(2+)
An iminium ion resulting from the protonation of the two imine groups of saxitoxin; major species at pH 7.3.
oscr#3(1-)
A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#3. The conjugate base of oscr#3 and the major species at pH 7.3.
HIOC
HIOC is a potent and selective activator of TrkB (tropomyosin related kinase B) receptor. HIOC can pass the blood-brain and blood-retinal barriers.HIOC activates TrkB/ERK pathway and decreases neuronal cell apoptosis. HIOC attenuates early brain injury after SAH (subarachnoid hemorrhage). HIOC shows protective activity in an animal model for light-induced retinal degeneration[1][2][3].
5,11-dimethoxy-1h,2h,4h,5h,10h,11h,13ah-indolo[7a,1-a]isoquinolin-8-ol
(5s,9bs,11r,13as)-5,11-dimethoxy-1h,2h,4h,5h,10h,11h,13ah-indolo[7a,1-a]isoquinolin-8-ol
(2e,4e)-7-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)hepta-2,4-dienimidic acid
(11s)-7,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinolin-8-ol
10'-methoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraene-4,11'-diol
(6e,8e)-12-(pyridin-2-yl)dodeca-6,8-dien-2-yl acetate
(2z,4z)-7-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)hepta-2,4-dienimidic acid
(1s,17s)-17-methoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2,4,6,14-tetraene-4,5-diol
14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaene
7,11-dimethoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinolin-8-ol
(5r,9bs,11r,13ar)-5,11-dimethoxy-1h,2h,4h,5h,10h,11h,13ah-indolo[7a,1-a]isoquinolin-8-ol
[(3,4-dimethoxyphenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
1-hydroxycryprochine
{"Ingredient_id": "HBIN002650","Ingredient_name": "1-hydroxycryprochine","Alias": "NA","Ingredient_formula": "C18H23NO3","Ingredient_Smile": "CN1CCC2=CC(=C(C3=C2C1CC34CCC(C=C4)O)O)OC","Ingredient_weight": "301.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9947","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101140029","DrugBank_id": "NA"}
(3z,5z)-n-isobutyl-8-(3',4'-methylenedioxy-phenyl)-heptadienamide
{"Ingredient_id": "HBIN009765","Ingredient_name": "(3z,5z)-n-isobutyl-8-(3',4'-methylenedioxy-phenyl)-heptadienamide","Alias": "NA","Ingredient_formula": "C18H23NO3","Ingredient_Smile": "CC(C)CNC(=O)C=CC=CCCC1=CC2=C(C=C1)OCO2","Ingredient_weight": "301.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11277","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "643765","DrugBank_id": "NA"}
bata - dichroine
{"Ingredient_id": "HBIN017617","Ingredient_name": "bata - dichroine","Alias": "NA","Ingredient_formula": "C16H19N3O3","Ingredient_Smile": "NA","Ingredient_weight": "301.34","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6424","PubChem_id": "NA","DrugBank_id": "NA"}
beta-dirchroine
{"Ingredient_id": "HBIN018083","Ingredient_name": "beta-dirchroine","Alias": "AJ-54457; (E)-3-(3-(3-Hydroxy-2-piperidinyl)acetonyl)-4-(3H)-quinazolinone; Febrifugine;; 3-(3-(3-Hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone; (E)-3-(3-(3-Hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone; 4(3H)-Quinazolinone, 3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, (2S-trans)-; UNII-89UWD0FH2I; Dichroin; ZINC5641945; Febrifugine (8CI); 24159-07-7; trans-3-(beta-Keto-gamma-(3-hydroxy-2-piperidyl)propyl)-4-quinazolone; SCHEMBL9542831; Febrifugine; 3-[3-[3(S)-Hydroxypiperidin-2(R)-yl]-2-oxopropyl]-3,4-dihydroquinazolin-4-one; BC650542; 89UWD0FH2I","Ingredient_formula": "C16H19N3O3","Ingredient_Smile": "C1CC(C(NC1)CC(=O)CN2C=NC3=CC=CC=C3C2=O)O","Ingredient_weight": "301.34 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT02072;SMIT02564","TCMID_id": "24282","TCMSP_id": "NA","TCM_ID_id": "6298","PubChem_id": "9851692","DrugBank_id": "NA"}
