Exact Mass: 287.1382
Exact Mass Matches: 287.1382
Found 500 metabolites which its exact mass value is equals to given mass value 287.1382,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rutaecarpine
Rutecarpine is a member of beta-carbolines. Rutaecarpine is a natural product found in Bouchardatia neurococca, Zanthoxylum dimorphophyllum, and other organisms with data available. Rutaecarpine belongs to the family of Pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Rutaecarpine, an alkaloid of Evodia rutaecarpa, is an inhibitor of COX-2 with an IC50 value of 0.28 μM. Rutaecarpine, an alkaloid of Evodia rutaecarpa, is an inhibitor of COX-2 with an IC50 value of 0.28 μM.
Lycorine
Lycorine is an indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity. It has a role as a protein synthesis inhibitor, an antimalarial, a plant metabolite and an anticoronaviral agent. It derives from a hydride of a galanthan. Lycorine is a natural product found in Sternbergia clusiana, Pancratium trianthum, and other organisms with data available. Lycorine is a toxic crystalline alkaloid found in various Amaryllidaceae species, such as the cultivated bush lily (Clivia miniata), surprise lilies (Lycoris), and daffodils (Narcissus). It may be highly poisonous, or even lethal, when ingested in certain quantities. Symptoms of lycorine toxicity are vomiting, diarrhea, and convulsions. Lycorine, definition at mercksource.com Regardless, it is sometimes used medicinally, a reason why some groups may harvest the very popular Clivia miniata. An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.144 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.136 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.138 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2316 INTERNAL_ID 2316; CONFIDENCE Reference Standard (Level 1) [Raw Data] CBA60_Lycorine_pos_30eV.txt [Raw Data] CBA60_Lycorine_pos_10eV.txt [Raw Data] CBA60_Lycorine_pos_50eV.txt [Raw Data] CBA60_Lycorine_pos_40eV.txt [Raw Data] CBA60_Lycorine_pos_20eV.txt Lycorine is a natural alkaloid extracted from the Amaryllidaceae plant. Lycorine is a potent and orally active SCAP inhibitor with a Kd value 15.24 nM. Lycorine downregulates the SCAP protein level without changing its transcription[2]. Lycorine is also a melanoma vasculogenic inhibitor[3]. Lycorine can be used for the study of prostate cancer and metabolic diseases[2]. Lycorine is a natural alkaloid extracted from the Amaryllidaceae plant. Lycorine is a potent and orally active SCAP inhibitor with a Kd value 15.24 nM. Lycorine downregulates the SCAP protein level without changing its transcription[2]. Lycorine is also a melanoma vasculogenic inhibitor[3]. Lycorine can be used for the study of prostate cancer and metabolic diseases[2]. Lycorine is a natural alkaloid extracted from the Amaryllidaceae plant. Lycorine is a potent and orally active SCAP inhibitor with a Kd value 15.24 nM. Lycorine downregulates the SCAP protein level without changing its transcription[2]. Lycorine is also a melanoma vasculogenic inhibitor[3]. Lycorine can be used for the study of prostate cancer and metabolic diseases[2].
Galantamine
Galanthamine is a benzazepine alkaloid isolated from certain species of daffodils. It has a role as an antidote to curare poisoning, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a cholinergic drug, an EC 3.1.1.8 (cholinesterase) inhibitor and a plant metabolite. It is an organic heterotetracyclic compound, a tertiary amino compound, a benzazepine alkaloid and a benzazepine alkaloid fundamental parent. It is a conjugate base of a galanthamine(1+). Galantamine is a tertiary alkaloid and reversible, competitive inhibitor of the acetylcholinesterase (AChE) enzyme, which is a widely studied therapeutic target used in the treatment of Alzheimers disease. First characterized in the early 1950s, galantamine is a tertiary alkaloid that was extracted from botanical sources, such as Galanthus nivalis. Galantamine was first studied in paralytic and neuropathic conditions, such as myopathies and postpolio paralytic conditions, and for reversal of neuromuscular blockade. Following the discovery of its AChE-inhibiting properties, the cognitive effects of galantamine were studied in a wide variety of psychiatric disorders such as mild cognitive impairment, cognitive impairment in schizophrenia and bipolar disorder, and autism; however, re-development of the drug for Alzheimer’s disease did not commence until the early 1990s due to difficulties in extraction and synthesis. Galantamine blocks the breakdown of acetylcholine in the synaptic cleft, thereby increasing acetylcholine neurotransmission. It also acts as an allosteric modulator of the nicotinic receptor, giving its dual mechanism of action clinical significance. The drug was approved by the FDA in 2001 for the treatment of mild to moderate dementia of the Alzheimers type. As Alzheimers disease is a progressive neurodegenerative disorder, galantamine is not known to alter the course of the underlying dementing process. Galantamine works to block the enzyme responsible for the breakdown of acetylcholine in the synaptic cleft, thereby enhancing cholinergic neuron function and signalling. Under this hypothesized mechanism of action, the therapeutic effects of galantamine may decrease as the disease progression advances and fewer cholinergic neurons remain functionally intact. It is therefore not considered to be a disease-modifying drug. Galantamine is marketed under the brand name Razadyne, and is available as oral immediate- and extended-release tablets and solution. Galantamine is a Cholinesterase Inhibitor. The mechanism of action of galantamine is as a Cholinesterase Inhibitor. Galantamine is an oral acetylcholinesterase inhibitor used for therapy of Alzheimer disease. Galantamine is associated with a minimal rate of serum enzyme elevations during therapy and has not been implicated as a cause of clinically apparent liver injury. Galantamine is a natural product found in Pancratium trianthum, Lycoris sanguinea, and other organisms with data available. A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders. See also: Galantamine Hydrobromide (active moiety of). A benzazepine derived from norbelladine. It is found in galanthus and other amaryllidaceae. Galantamine is a cholinesterase inhibitor that has been used to reverse the muscular effects of gallamine triethiodide and tubocurarine, and has been studied as a treatment for Alzheimers disease and other central nervous system disorders. [PubChem] D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents A benzazepine alkaloid isolated from certain species of daffodils. C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors Galanthamine is a potent acetylcholinesterase (AChE) inhibitor with an IC50 of 500 nM. Galanthamine is a potent acetylcholinesterase (AChE) inhibitor with an IC50 of 500 nM.
Mesembrenone
Mesembrenone is a member of pyrrolidines. Mesembrenone is a natural product found in Bergeranthus scapiger, Oscularia deltoides, and other organisms with data available.
Etodolac
Etodolac is only found in individuals that have used or taken this drug. It is a non-steroidal anti-inflammatory drug (NSAID) with anti-inflammatory, analgesic and antipyretic properties. Its therapeutic effects are due to its ability to inhibit prostaglandin synthesis. It is indicated for relief of signs and symptoms of rheumatoid arthritis and osteoarthritis. Similar to other NSAIDs, the anti-inflammatory effects of etodolac result from inhibition of the enzyme cycooxygenase (COX). This decreases the synthesis of peripheral prostaglandins involved in mediating inflammation. Etodolac binds to the upper portion of the COX enzyme active site and prevents its substrate, arachidonic acid, from entering the active site. Etodolac was previously thought to be a non-selective COX inhibitor, but it is now known to be 5 – 50 times more selective for COX-2 than COX-1. Antipyresis may occur by central action on the hypothalamus, resulting in peripheral dilation, increased cutaneous blood flow, and subsequent heat loss. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents KEIO_ID E034; [MS2] KO008956 KEIO_ID E034
Cyproheptadine
Cyproheptadine is only found in individuals that have used or taken this drug. It is a serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc. [PubChem]Cyproheptadine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Cyproheptadine also competes with serotonin at receptor sites in smooth muscle in the intestines and other locations. Antagonism of serotonin on the appetite center of the hypothalamus may account for Cyproheptadines ability to stimulate appetite. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D005765 - Gastrointestinal Agents D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Cyproheptadine is a potent and orally active 5-HT2A receptor antagonist, with antidepressant and antiserotonergic effects. Cyproheptadine has antiplatelet and thromboprotective activities. Cyproheptadine can be used for the research of thromboembolic disorders[1][2].
Dihydromorphine
Dihydromorphine is a metabolite of Hydromorphone. Dihydromorphine is a semi-synthetic opioid structurally related to and derived from morphine. The 7,8-double bond in morphine is reduced to a single bond to get dihydromorphine. (Wikipedia) 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
Naftifine
Naftifine is only found in individuals that have used or taken this drug. It is a synthetic, broad spectrum, antifungal agent and allylamine derivative for the topical treatment of tinea pedis, tinea cruris, and tinea corporis caused by the organisms Trichophyton rubrum, Trichophyton mentagrophytes, Trichophyton tonsurans and Epidermophyton floccosum.Although the exact mechanism of action against fungi is not known, naftifine appears to interfere with sterol biosynthesis by inhibiting the enzyme squalene 2,3-epoxidase. This inhibition of enzyme activity results in decreased amounts of sterols, especially ergosterol, and a corresponding accumulation of squalene in the cells. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Ritodrine
Ritodrine is only found in individuals that have used or taken this drug. It is an adrenergic beta-agonist used to control premature labor. [PubChem]Ritodrine is beta-2 adrenergic agonist. It binds to beta-2 adrenergic receptors on outer membrane of myometrial cell, activates adenyl cyclase to increase the level of cAMP which decreases intracellular calcium and leads to a decrease of uterine contractions. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants 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
Zolmitriptan
Zolmitriptan is only found in individuals that have used or taken this drug. It is a synthetic tryptamine derivative and appears as a white powder that is readily soluble in water. [Wikipedia]Zolmitriptan binds with high affinity to human 5-HT1B and 5-HT1D receptors leading to cranial blood vessel constriction. Current theories proposed to explain the etiology of migraine headache suggest that symptoms are due to local cranial vasodilatation and/or to the release of sensory neuropeptides (vasoactive intestinal peptide, substance P and calcitonin gene-related peptide) through nerve endings in the trigeminal system. The therapeutic activity of zolmitriptan for the treatment of migraine headache can most likely be attributed to the agonist effects at the 5HT1B/1D receptors on intracranial blood vessels (including the arterio-venous anastomoses) and sensory nerves of the trigeminal system which result in cranial vessel constriction and inhibition of pro-inflammatory neuropeptide release. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
Norlaudanosoline
Norlaudanosoline (CAS: 4747-99-3), also known as tetrahydropapaveroline, belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. Norlaudanosoline is a very strong basic compound (based on its pKa). Norlaundanosoline is a key intermediate in the synthesis of the benzylisoquinoline alkaloids, providing the upper isoquinoline portion of the morphinan skeleton. It is involved in alkaloid biosynthesis and is synthesized by the enzyme (S)-norlaudanosoline synthase. Formerly believed to be a biosynthetic precursor of morphine in Papaver somniferum, now disproved
Gabazine
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists
norlaudanosoline
Origin: Animal; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.055 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2522; CONFIDENCE confident structure
noroxymorphone
noroxymorphone is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia) D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
Piperanine
Isolated from pepper. Piperanine is found in herbs and spices and pepper (spice). Piperanine is found in herbs and spices. Piperanine is isolated from pepper.
Feruperine
Alkaloid from pepper (Piper nigrum) (Piperaceae). Feruperine is found in herbs and spices and pepper (spice). Feruperine is found in herbs and spices. Feruperine is an alkaloid from pepper (Piper nigrum) (Piperaceae).
Pipermethystine
Pipermethystine is found in beverages. Pipermethystine is an alkaloid from the leaves of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Pipermethystine is an alkaloid present in the aerial (aboveground) portions of the kava plant. Alkaloid from the leaves of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
N-Ribosylhistidine
N tau-ribosylhistidine (His-R) is a histidine derivative found in the urine of histidinemic patients (histidinemia is an autosomal recessive metabolic disorder characterized by increased levels of histidine in blood, urine, and cerebrospinal fluid). The enzymes responsible for the formation of His-R are NAD (P) + nucleosidase [EC 3.2.2.5], nucleotide pyrophosphatase [EC 3.5.1.9] and 5-nucleotidase [EC 3.1.3.5]. (PMID: 2992472) [HMDB] N tau-ribosylhistidine (His-R) is a histidine derivative found in the urine of histidinemic patients (histidinemia is an autosomal recessive metabolic disorder characterized by increased levels of histidine in blood, urine, and cerebrospinal fluid). The enzymes responsible for the formation of His-R are NAD (P) + nucleosidase [EC 3.2.2.5], nucleotide pyrophosphatase [EC 3.5.1.9] and 5-nucleotidase [EC 3.1.3.5] (PMID: 2992472).
Arginylhydroxyproline
Arginylhydroxyproline is a dipeptide composed of arginine and hydroxyproline. 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.
Hydroxyprolyl-Arginine
Hydroxyprolyl-Arginine is a dipeptide composed of hydroxyproline and arginine. 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.
Nordihydrocodeine
Nordihydrocodeine 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.
6alpha-Hydroxy-hydromorphone
6alpha-Hydroxy-hydromorphone is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
6beta-Hydroxy-hydromorphone
6beta-Hydroxy-hydromorphone is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
Dihydroisomorphine
Dihydroisomorphine is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
(2E)-Hexenedioylcarnitine
(2E)-Hexenedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-hexenedioic 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)-Hexenedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E)-Hexenedioylcarnitine 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)-3-Methylpent-2-enedioylcarnitine
(2E)-3-methylpent-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-3-methylpent-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)-3-methylpent-2-enedioylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (2E)-3-methylpent-2-enedioylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular (2E)-3-methylpent-2-enedioylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-methylglutarylCoA lyase deficiency (PMID: 32685354). (2E)-3-methylpent-2-enedioylcarnitine is elevated in the urine of individuals with 3-methylglutaconic aciduria (PMID: 7850987). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
Hex-3-enedioylcarnitine
hex-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an hex-3-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. hex-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine hex-3-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].
3-Hydroxyhept-4-enoylcarnitine
3-hydroxyhept-4-enoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyhept-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. 3-hydroxyhept-4-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyhept-4-enoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(5E)-3-Hydroxyhept-5-enoylcarnitine
(5E)-3-hydroxyhept-5-enoylcarnitine is an acylcarnitine. More specifically, it is an (5E)-3-hydroxyhept-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. (5E)-3-hydroxyhept-5-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (5E)-3-hydroxyhept-5-enoylcarnitine 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-Hydroxyhept-5-enoylcarnitine
2-hydroxyhept-5-enoylcarnitine is an acylcarnitine. More specifically, it is an 2-hydroxyhept-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-hydroxyhept-5-enoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-hydroxyhept-5-enoylcarnitine 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-Oxoheptanoylcarnitine
3-Oxoheptanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxoheptanoic 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-Oxoheptanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Oxoheptanoylcarnitine 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].
(4R)-4-[[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one
Ritodrina
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants 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
Cyanopindolol
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
Hydromorphine
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
Epigalanthamin
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D004791 - Enzyme Inhibitors
7-Chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
Thesinine
Thesinine is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. Thesinine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Thesinine can be found in borage, which makes thesinine a potential biomarker for the consumption of this food product. Thesinine is a pyrrolizidine alkaloid first isolated from Thesium minkwitzianum from which it derives its name. It is also found in the flowers and seeds of borage .
indole-3-acetyl-isoleucine
Indole-3-acetyl-isoleucine is also known as iaa-ile. Indole-3-acetyl-isoleucine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-isoleucine can be found in a number of food items such as oriental wheat, brazil nut, corn, and cauliflower, which makes indole-3-acetyl-isoleucine a potential biomarker for the consumption of these food products.
indole-3-acetyl-leucine
Indole-3-acetyl-leucine is also known as iaa-leu. Indole-3-acetyl-leucine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-leucine can be found in a number of food items such as prairie turnip, pecan nut, common sage, and saffron, which makes indole-3-acetyl-leucine a potential biomarker for the consumption of these food products.
1-hydroxy-3,6-dimethoxy-1,2-dimethyl-9H-carbazol-4-one
Tribenzylamine
CONFIDENCE standard compound; INTERNAL_ID 1132; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8039; ORIGINAL_PRECURSOR_SCAN_NO 8037 CONFIDENCE standard compound; INTERNAL_ID 1132; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8040; ORIGINAL_PRECURSOR_SCAN_NO 8038 CONFIDENCE standard compound; INTERNAL_ID 1132; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8054; ORIGINAL_PRECURSOR_SCAN_NO 8052 CONFIDENCE standard compound; INTERNAL_ID 1132; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8082; ORIGINAL_PRECURSOR_SCAN_NO 8080 CONFIDENCE standard compound; INTERNAL_ID 1132; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8101; ORIGINAL_PRECURSOR_SCAN_NO 8100 CONFIDENCE standard compound; INTERNAL_ID 1132; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8147; ORIGINAL_PRECURSOR_SCAN_NO 8146 CONFIDENCE standard compound; INTERNAL_ID 8376
(4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl)methyl 2,3-dihydroxy-3-methylpentanoate
2-acetamido-3,6-anhydro-2-deoxy-5-O-isovaleryl-D-glucofuranose|furanodictine A
(-)-8-norindolactam V|(-)-des-N-methylindolactam-V|(-)-N13-desmethylindolactam V|(-)-N13-desmethylindolactam-V|des-methyl-(-)-indolactam V|des-N-methylindolactam V|desmethyl indolactam V
9,14,14b,15-tetrahydro-8H-pyrido[4,3:4,5]azepino[1,2:1,2]pyrido[3,4-b]indole|Naufolin|Naufoline
5t-benzo[1,3]dioxol-5-yl-penta-2t,4-dienoic acid isopentylamide|5t-Benzo[1,3]dioxol-5-yl-penta-2t,4-diensaeure-isopentylamid|piperic acid isopentyl amide
(S)-2-(3,4-dihydroxybenzoylamino)-3-phenylpropanol|nigerrimin A
6,7-dihydro-5H-indolo[3,2:3,4]pyrido[2,1-b]quinazolin-9-one|Pseudorutaecarpin|rutaecarpine
3-Isopentenyl-4-methoxy-7,8-methylendioxy-2-chinolon|6-methoxy-7-(3-methyl-but-2-enyl)-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|6-methoxy-7-(3-methylbut-2-enyl)-1,3-dioxolo<4,5-h>quinolin-8-one
7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
Epigalantamine
Epigalantamine is a natural product found in Lycoris sanguinea, Lycoris radiata, and other organisms with data available.
etodolac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3308
naftifine
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3581
Galantamine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors Origin: Plant, Benzazepines CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 27 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.263 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.257 Galanthamine is a potent acetylcholinesterase (AChE) inhibitor with an IC50 of 500 nM. Galanthamine is a potent acetylcholinesterase (AChE) inhibitor with an IC50 of 500 nM.
Zolmitriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
(E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one
Rutaecarpine
Rutaecarpine, an alkaloid of Evodia rutaecarpa, is an inhibitor of COX-2 with an IC50 value of 0.28 μM. Rutaecarpine, an alkaloid of Evodia rutaecarpa, is an inhibitor of COX-2 with an IC50 value of 0.28 μM.
C17H21NO3_3a-(3,4-Dimethoxyphenyl)-1-methyl-1,2,3,3a,4,5-hexahydro-6H-indol-6-one
C16H17NO4_6,11-Methano-6H-benzo[b]-1,3-benzodioxolo[5,6-e]azepine-8,9-diol, 5,6a,7,8,9,11-hexahydro
CYPROHEPTADINE
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D005765 - Gastrointestinal Agents D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Cyproheptadine is a potent and orally active 5-HT2A receptor antagonist, with antidepressant and antiserotonergic effects. Cyproheptadine has antiplatelet and thromboprotective activities. Cyproheptadine can be used for the research of thromboembolic disorders[1][2].
3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5-tetrahydroindol-6-one
C.I. Basic Red 9
D004396 - Coloring Agents > D012394 - Rosaniline Dyes D005404 - Fixatives CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6850; ORIGINAL_PRECURSOR_SCAN_NO 6849 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6885; ORIGINAL_PRECURSOR_SCAN_NO 6883 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6893; ORIGINAL_PRECURSOR_SCAN_NO 6892 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6896; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6827; ORIGINAL_PRECURSOR_SCAN_NO 6826 CONFIDENCE standard compound; INTERNAL_ID 229; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6868; ORIGINAL_PRECURSOR_SCAN_NO 6867
noroxymorphone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
Nordihydrocodeine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
CAR 6:2;O2
Benzamide, N-[(4-hydroxyphenyl)methyl]-3,4-dimethoxy
tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate
4-tert-butyl-2-[3-(trifluoromethyl)phenyl]morpholine
N-(4-AMINO-6,7-DIMETHOXYQUINAZOL-2-YL)-N-METHYL-2-CYANOETHYLAMINE
2-(2-METHYL-2H-TETRAZOL-5-YL)-5-(4,4,5,5-TETRAMETHYL-1,3, - 2DIOXABOROLAN-2-YL)PYRIDINE
2-Amino-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2,6-dimethoxy-4-[(1-phenylethylamino)methyl]phenol
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-_4-(trifluoromethyl)_benzenamine
3-AZIDO-3-DEOXY-1,2:5,6-DI-O-ISOPROPYLIDENE-α-D-GLUCOFURANOSE
5-Morpholin-4-ylmethyl-2-phenyl-furan-3-carboxylicacid
1-[(4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid,hydrochloride
1-(4-trifluoromethyl-benzyl)-piperidine-4-carboxylic acid hydrochloride
N-BENZYL-3-CARBOMETHOXY-4-PIPERIDONE, SODIUM SALT MONOHYDRATE, TECH.
(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(2-METHOXY-2-OXOETHYL)PYRROLIDINE-2-CARBOXYLIC ACID
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)aniline
[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine
8-METHYL-QUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
(3S,4R)-4-Acetoxy-3-[(R)-1-(tert-butyldimethylsilyloxy)ethyl]azetidin-2-one
5-(4-(ACETYLAMINO)PHENYL)-1H-IMIDAZOLE-2-ACETIC ACID ETHYL ESTER
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline
(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(ethoxycarbonyl)pyrrolidine-
1-[4-(5-Nitro-1H-indol-3-yl)-1-piperidinyl]ethanone
5-METHOXY-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE
2-Amino-6-benzyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid amide
ethyl 2-(2-ethoxy-2-oxoethyl)quinoline-3-carboxylate
(2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol hydrochloride
3-amino-N,N-diethyl-4-(2-hydroxyethylamino)benzenesulfonamide
Ethyl N-[(5-amino-1-phenyl-1H-pyrazol-4-yl)-carbonyl]ethanehydrazonoate
3,6-Acridinediamine,N6,N6,2-trimethyl-, hydrochloride (1:1)
N-Cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
1-(4-(4-Amino-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone
4-((4-ethylpiperazin-1-yl)Methyl)-3-(trifluoromethyl)aniline
TRANS-1-(tert-butoxycarbonyl)-4-(ethoxycarbonyl)pyrrolidine-3-carboxylic acid
N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
1-[(3-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
Methyl 2-amino-4-methoxy-5-(phenylmethoxy)benzoate
besipirdine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
2-[4-(3-FORMYL-2,5-DIMETHYL-1H-1-PYRROLYL)PHENOXY]PROPANOIC ACID
9-ACETYL-7-METHYL-2-MORPHOLINO-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
5-(4-chlorophenyl)-N-cyclopentyl-2-methylpyrimidin-4-amine
trolamine salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1,1-DIMETHYLETHYL [2-HYDROXY-2-(1-NAPHTHALENYL)ETHYL]CARBAMATE
(2S,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol (hydrochloride)
2-(2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile
5-Methoxy-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
1-[4-(4-AMINO-2-TRIFLUOROMETHYLPHENYL)PIPERAZIN-1-YL]ETHANONE
tert-butyl 4-(2-cyanophenyl)piperazine-1-carboxylate
1,3-Diazaspiro[4.5]decane-2,4-dione,8-methyl-3-[(phenylamino)methyl]-
(4S)-(-)-T-BUTYLDIMETHYLSILOXY-2-CYCLOPENTEN-1-ONE
1-cyclopropyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
Numidargistat
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C308 - Immunotherapeutic Agent D004791 - Enzyme Inhibitors
2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-
7-Chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
2,6-Dihydroxy-N-(2-(4-methoxyphenyl)ethyl)benzamide
(R)-2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol
2H-Indol-2-one, 1,3-dihydro-5-(3-pyridinyl)-3-(1H-pyrrol-2-ylmethylene)-
1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
4-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)morpholine
4-{[(2s)-3-(Tert-Butylamino)-2-Hydroxypropyl]oxy}-3h-Indole-2-Carbonitrile
(1S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxo-2-phenylpropanoate
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Yutopar
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants 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 D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents
4-[(Bicyclo[4.1.0]heptane-7-carbonyl)-amino]-benzoic acid ethyl ester
(2E)-3-azepan-1-yl-2-[(3-fluorophenyl)hydrazono]-3-iminopropanenitrile
N-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-2-furancarboxamide
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
2-[6-(Methoxymethyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-1-(4-methylphenyl)guanidine
(17S,18S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol
(2S,3R)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
2-benzylidene-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
2-[(3-Butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrile
1-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one
3-[5-(4-Methoxyphenyl)-1-propyl-2-pyrrolyl]propanoic acid
N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propionamide
N-[(2R)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propionamide
N-[3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propionamide
1-(2-Ethyl-6-methylphenyl)-3-[(1-methyl-2-pyrrolyl)methyl]thiourea
5,7-dimethyl-3-(4-methylphenyl)-3H-pyrido[4,3,2-de]quinazoline
(4aR,7aR)-9-methoxy-3-methyl-2,4,4a,5,6,7a-hexahydro-1H-benzofuro[3,2-e]isoquinolin-7-one
6-acetyl-6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one
Asp-Gly-Pro
A tripeptide composed of L-aspartic acid, glycine, and L-proline units joined in sequence.
[4-(2-Pyridinylmethyl)-1-piperazinyl]-thiophen-2-ylmethanone
N-ethyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
N-[(E)-1-(4-acetamidophenyl)ethylideneamino]cyclopentanecarboxamide
N-butyl-1,6-dihydro-5-(4-hydroxyphenyl)-6-oxo-2-pyrazinecarboxamide
(3R,8Z,11R)-11-methyl-3-phenyl-1-oxa-5-azacyclododec-8-ene-4,12-dione
ethyl 2-[(1S)-8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetate
(4S,9Z,12R)-12-methyl-4-phenyl-1-oxa-5-azacyclododec-9-ene-2,6-dione
(2E)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]oct-2-enoate
2-(1,8-diethyl-4,8-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
2-[(4-Methoxyphenyl)methyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione
(E,7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoct-2-enoate
2-(2,5-Dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-3-ium-7-one
[4-Methyl-1-(1-methylindol-3-yl)-3-oxopentan-2-yl] acetate
2-[(4,4-Dimethyl-2,6-dioxocyclohexyl)methylideneamino]benzoic acid
[(2S,4S)-1-(1H-indol-3-yl)-4-methyl-3-oxohexan-2-yl] acetate
[(2S)-1-(1H-indol-3-yl)-4-methyl-3-oxopentan-2-yl] propanoate
5-amino-1-(3-fluoro-4-morpholinophenyl)-1H-imidazole-4-carbonitrile
4-Ethoxycarbonylmethyl-3-methyl-1-para-tolyl-3-pyrroline-2,5-dione
1-Methyl-3-methoxycarbonyl-5-trimethylsilyl-2-phenylpyrrole
6,11-Phenylimino-5,6-dihydropyrrolo(1,2-C)(1,3)benzodiazepin-5-one
2,4-Diethyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione
ritodrine
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants 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
Gabazine
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists
Dihydromorphine
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
Epigalanthamin
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D004791 - Enzyme Inhibitors
Ritodrina
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants 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
Cyanopindolol
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
2-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
oscr#13(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#13, obtained by deprotonation of the carboxy group; major species at pH 7.3.
O-[(2E)-hexenedioyl]carnitine
An O-acylcarnitine having (2E)-hexenedioyl as the acyl substituent.
O-Desmethyl Mebeverine alcohol (hydrochloride)
O-Desmethyl Mebeverine alcohol hydrochloride is a metabolite of Mebeverine, which is a potent α1 repector inhibitor, causing relaxation of the gastrointestinal tract.
4-hydroxy-3-(1-{[2-(4-hydroxyphenyl)ethyl]imino}ethyl)-6-methylpyran-2-one
(3r)-6-oxo-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl acetate
8-hydroxy-7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
(1s,17s,18s,19r)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraene-17,18-diol
1-(1h-indol-3-yl)-4-methyl-3-oxohexan-2-yl acetate
(2e)-3-(4-hydroxy-3-methoxyphenyl)-n-[2-(3h-imidazol-4-yl)ethyl]prop-2-enimidic acid
(1s,7s,16r)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2,12,14-triene-4,11-dione
1-[(2e)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2-one
(3z)-3-(1-{[2-(4-hydroxyphenyl)ethyl]amino}ethylidene)-6-methylpyran-2,4-dione
11-[(2-oxopyrrolidin-1-yl)methyl]-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
5,7,20,21-tetraoxa-14-azahexacyclo[16.2.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹¹,¹⁹]henicosa-2(10),3,8-triene
n-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]ethanimidic acid
(1r,13s,15s,18r)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,16-tetraene-15,18-diol
5-(4-hydroxy-3-methoxyphenyl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
n-{2-hydroxy-6-[(3-methylbutanoyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl}ethanimidic acid
(1s,7r,16r)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2,12,14-triene-4,11-dione
16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2(7),12,14-triene-4,9-dione
16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2,12,14-triene-4,11-dione
5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene-15,18-diol
(1r,5r)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-phenylprop-2-enoate
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-hydroxy-3-[(3r)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid
(1s,16r)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2(7),12,14-triene-4,11-dione
6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylprop-2-enoate
16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2,12,14-triene-4,9-dione
(9bs,11r,12r)-11-methoxy-1h,2h,4h,5h,10h,11h,12h-indolo[7a,1-a]isoquinoline-8,12-diol
(1r,13s,15r,18s)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene-15,18-diol
(+)-11-hydroxyvittatine
{"Ingredient_id": "HBIN000458","Ingredient_name": "(+)-11-hydroxyvittatine","Alias": "NA","Ingredient_formula": "C16H17NO4","Ingredient_Smile": "C1C(C=CC23C1N(CC2O)CC4=CC5=C(C=C34)OCO5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10825","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-epigalanthamine
{"Ingredient_id": "HBIN005583","Ingredient_name": "2-epigalanthamine","Alias": "NA","Ingredient_formula": "C17H21NO3","Ingredient_Smile": "CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6919","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
