Exact Mass: 299.1117302
Exact Mass Matches: 299.1117302
Found 472 metabolites which its exact mass value is equals to given mass value 299.1117302,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N-Methylcoclaurine
(R)-N-methylcoclaurine is the (R)-enantiomer of N-methylcoclaurine. It is a conjugate base of a (R)-N-methylcoclaurinium. It is an enantiomer of a (S)-N-methylcoclaurine. (R)-N-Methylcoclaurine is a natural product found in Cyclea barbata, Cyclea peltata, and other organisms with data available.
Codeine
In the United States, codeine is regulated by the Controlled Substances Act. It is a Schedule II controlled substance for pain-relief products containing codeine alone. In combination with aspirin or acetaminophen (paracetamol/tylenol) it is listed as Schedule III. Codeine is also available outside the United States as an over-the-counter drug (Schedule V) in liquid cough-relief formulations. Internationally, codeine is a Schedule II drug under the Single Convention on Narcotic Drugs. In the United Kingdom, codeine is regulated by the Misuse of Drugs Act 1971; it is a Class B Drug, except for concentrations of less than 8mg when combined with paracetamol - or 12.5mg when combined with ibuprofen - which are available in many over the counter preparations. it is a Class B Drug, except for concentrations of less than 8mg when combined with paracetamol - or 12.5mg when combined with ibuprofen - which are available in many over the counter preparations. An opioid analgesic related to morphine but with less potent analgesic properties and mild sedative effects. It also acts centrally to suppress cough. Codeine or methylmorphine is an opiate used for its analgesic, antitussive and antidiarrheal properties. It is marketed as the salts codeine sulfate and codeine phosphate. Codeine hydrochloride is more commonly marketed in contintental Europe and other regions. Codeine is an alkaloid found in opium in concentrations ranging from 0.3 to 3.0 percent. While codeine can be extracted from opium, most codeine is synthesized from morphine through the process of O-methylation. In the United Kingdom, codeine is regulated by the Misuse of Drugs Act 1971; Codeine or methylmorphine is an opiate used for its analgesic, antitussive and antidiarrheal properties. It is marketed as the salts codeine sulfate and codeine phosphate. Codeine hydrochloride is more commonly marketed in contintental Europe and other regions. Codeine is an alkaloid found in opium in concentrations ranging from 0.3 to 3.0 percent. While codeine can be extracted from opium, most codeine is synthesized from morphine through the process of O-methylation. Theoretically, a dose of approximately 200 mg (oral) of codeine must be administered to give equivalent analgesia to 30 mg (oral) of morphine (Rossi, 2004). It is not used, however, in single doses of greater than 60mg (and no more than 240 mg in 24 hours) since there is a ceiling effect. [PubChem]Opiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Codeines analgesic activity is, most likely, due to its conversion to morphine. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability. R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Opium alkaloid (Papaver somniferum) (content ca. 1\\%) CONFIDENCE standard compound; INTERNAL_ID 1623
Metoclopramide
Metoclopramide is only found in individuals that have used or taken this drug. It is a dopamine D2 antagonist that is used as an antiemetic. [PubChem]Metoclopramide inhibits gastric smooth muscle relaxation produced by dopamine, therefore increasing cholinergic response of the gastrointestinal smooth muscle. It accelerates intestinal transit and gastric emptying by preventing relaxation of gastric body and increasing the phasic activity of antrum. Simultaneously, this action is accompanied by relaxation of the upper small intestine, resulting in an improved coordination between the body and antrum of the stomach and the upper small intestine. Metoclopramide also decreases reflux into the esophagus by increasing the resting pressure of the lower esophageal sphincter and improves acid clearance from the esophagus by increasing amplitude of esophageal peristaltic contractions. Metoclopramides dopamine antagonist action raises the threshold of activity in the chemoreceptor trigger zone and decreases the input from afferent visceral nerves. Studies have also shown that high doses of metoclopramide can antagonize 5-hydroxytryptamine (5-HT) receptors in the peripheral nervous system in animals. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics EAWAG_UCHEM_ID 2781; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 2781 D002491 - Central Nervous System Agents
phosphamidon
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Hydrocodone
Hydrocodone is only found in individuals that have used or taken this drug. It is a narcotic analgesic related to codeine, but more potent and more addicting by weight. It is used also as cough suppressant. [PubChem]Hydrocodone acts as a weak agonist at OP1, OP2, and OP3 opiate receptors within the central nervous system (CNS). Hydrocodone primarily affects OP3 receptors, which are coupled with G-protein receptors and function as modulators, both positive and negative, of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine, and noradrenaline is inhibited. Opioids such as hydrocodone also inhibit the release of vasopressin, somatostatin, insulin, and glucagon. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability. R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives 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 C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(S)-N-Methylcoclaurine
This compound belongs to the family of Benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
D-4'-Phosphopantothenate
D-4-Phosphopantothenate is a product of the enzyme pantothenate kinase [EC 2.7.1.33] and is involved in the pantothenate and CoA biosynthesis pathway (KEGG). D-4-Phosphopantothenate is an intermediate in coenzyme A (CoA) biosynthesis pathway. Coenzyme A is a cofactor of ubiquitous occurrence in plants, bacteria, and animals. It is needed in a large number of enzymatic reactions central to intermediary metabolism, including the oxidation of fatty acids, carbohydrates, and amino acids.
(Z)-N-Coumaroyl-5-hydroxyanthranilic acid
(Z)-N-Coumaroyl-5-hydroxyanthranilic acid is found in cereals and cereal products. (Z)-N-Coumaroyl-5-hydroxyanthranilic acid is isolated from oats (Avena sativa).
Neopine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Neopine is found in opium poppy. Minor alkaloid of opium (Papaver somniferum
Imipenem
C12H17N3O4S (299.09397220000005)
Semisynthetic thienamycin that has a wide spectrum of antibacterial activity against gram-negative and gram-positive aerobic and anaerobic bacteria, including many multiresistant strains. It is stable to beta-lactamases. Clinical studies have demonstrated high efficacy in the treatment of infections of various body systems. Its effectiveness is enhanced when it is administered in combination with cilastatin, a renal dipeptidase inhibitor. [PubChem] D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
2,3,9,10-Tetrahydroxyberbine
C17H17NO4 (299.11575220000003)
A berberine alkaloid that is berbine substituted by hydroxy groups at positions 2, 3, 9 and 10.
Saxitoxin
Saxitoxin is a paralytic poison from Alaska butter clams (Saxidomus giganteus), toxic mussels (Mytilus californianus), the plankton Gonyaulax cantenella and Protogonyaulax tamarensis. Causal agent of paralytic shellfish poisoning. Saxitoxin (STX) is a neurotoxin naturally produced by certain species of marine dinoflagellates (Alexandrium sp., Gymnodinium sp., Pyrodinium sp.) and cyanobacteria (Anabaena sp., some Aphanizomenon species, Cylindrospermopsis sp., Lyngbya sp., Planktothrix sp.). Ingestion of saxitoxin (usually through shellfish contaminated by toxic algal blooms) is responsible for the human illness known as paralytic shellfish poisoning (PSP). (Wikipedia
7-Methylxanthosine
7-methylxanthosine is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. 7-methylxanthosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 7-methylxanthosine can be found in arabica coffee, which makes 7-methylxanthosine a potential biomarker for the consumption of this food product.
fenbendazole
C15H13N3O2S (299.07284380000004)
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 1062 Fenbendazole is an orally active benzimidazole anthelmintic agent, with a broad antiparasitic range. Fenbendazole is a microtubule destabilizing agent and acts on helminthes primarily by binding to tubulin and disrupting the tubulin microtubule equilibrium. Fenbendazole stabilizes the transcriptional activator HIF-1α. Fenbendazole possesses an efficient anti-proliferative activity and induces apoptosis. Fenbendazole causes cell-cycle arrest and mitotic cell death, and has antitumor activity in mice xenografted with wild-type p53[1].
chlordiazepoxide
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 3617 CONFIDENCE standard compound; INTERNAL_ID 1542
N-trans-p-Coumaroyloctopamine
C17H17NO4 (299.11575220000003)
Alkaloid from roots of bell pepper (Capsicum annuum variety grossum). N-trans-p-Coumaroyloctopamine is found in many foods, some of which are orange bell pepper, herbs and spices, eggplant, and red bell pepper. N-trans-p-Coumaroyloctopamine is found in eggplant. N-trans-p-Coumaroyloctopamine is an alkaloid from roots of bell pepper (Capsicum annuum var. grossum). N-trans-p-coumaroyloctopamine is a member of styrenes. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1]. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1].
N-cis-Caffeoyltyramine
C17H17NO4 (299.11575220000003)
N-cis-Caffeoyltyramine is a member of catechols. n-Caffeoyltyramine is a natural product found in Lycium chinense, Limoniastrum guyonianum, and other organisms with data available. See also: Tobacco Leaf (part of); Cannabis sativa subsp. indica top (part of); Cocoa (part of) ... View More ... N-cis-Caffeoyltyramine is found in fruits. N-cis-Caffeoyltyramine is an alkaloid from stems of cherimoya (Annona cherimola). Alkaloid from stems of cherimoya (Annona cherimola). N-cis-Caffeoyltyramine is found in fruits. N-TRANS-CaffeoyLtyramine is an effective inflammatory response regulator, which has antioxidant activity and anticoagulation effects[1]. N-TRANS-CaffeoyLtyramine is an effective inflammatory response regulator, which has antioxidant activity and anticoagulation effects[1].
Fenbendazole
C15H13N3O2S (299.07284380000004)
Veterinary anthelmintic. Fenbendazole is a fda approved for use in cattle, pigs and goats Fenbendazole (Hoechst brand names Panacur and Safe-Guard, Intervet Panacur and Panacur Rabbit) is a broad spectrum benzimidazole anthelmintic used against gastrointestinal parasites including roundworms, hookworms, whipworms, the taenia species of tapeworms, pinworms, aelurostrongylus, paragonimiasis, strongyles and strongyloides and can be administered to sheep, cattle, horses, fish, dogs, cats, rabbits and seals. Drug interactions may occur if using bromsalan flukicides (Dibromsalan, Tribromsalan). Abortions in cattle and death in sheep have been reported after using these medications together. (Plumbs Veterinary Drug Handbook, Fifth Edition. 2005 P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Fenbendazole is an orally active benzimidazole anthelmintic agent, with a broad antiparasitic range. Fenbendazole is a microtubule destabilizing agent and acts on helminthes primarily by binding to tubulin and disrupting the tubulin microtubule equilibrium. Fenbendazole stabilizes the transcriptional activator HIF-1α. Fenbendazole possesses an efficient anti-proliferative activity and induces apoptosis. Fenbendazole causes cell-cycle arrest and mitotic cell death, and has antitumor activity in mice xenografted with wild-type p53[1].
8-Hydroxyguanosine
C10H13N5O6 (299.08657980000004)
8-hydroxyguanosine (8-OHG) is a marker for measuring the rate of oxidative damage to nucleic acids and lipids. Production of reactive oxygen species (ROS) damage proteins, lipid membranes, and nucleic acids (DNA and RNA), all critical functional components of living cells. The progressive accumulation of unrepaired free radical damage over time is believed to be a major contributor to the aging process and to a variety of age-related chronic diseases. Generation of most free radicals is a side effect of normal metabolic processes, especially mitochondrial production of ROS, including superoxide anion, hydrogen peroxide, and hydroxyl radical, coincident to oxidative metabolism. (PMID 14607529). 8-OHG (marker of oxidative damage to RNA) was found in the cerebral cortex in three of six cases of neuropathologically examined autopsy of subacute sclerosing panencephalitis patients. Subacute sclerosing panencephalitis is caused by persistent brain infection of mutated measles virus, showing inflammation, neuronal loss, and demyelination. (PMID 12546425). The concentration of 8-OHG in CSF in Parkinsons disease (PD) patients is approximately three-fold that in controls. The concentration of 8-OHG in CSF decreased significantly with the duration of disease. However, the concentration of 8-OHG in serum was not significantly altered in PD patients compared to that in controls. (PMID 12499051). 8-hydroxyguanosine (8-OHG) is a marker for measuring the rate of oxidative damage to nucleic acids and lipids. Production of reactive oxygen species (ROS) damage proteins, lipid membranes, and nucleic acids (DNA and RNA), all critical functional components of living cells. The progressive accumulation of unrepaired free radical damage over time is believed to be a major contributor to the aging process and to a variety of age-related chronic diseases. Generation of most free radicals is a side effect of normal metabolic processes, especially mitochondrial production of ROS, including superoxide anion, hydrogen peroxide, and hydroxyl radical, coincident to oxidative metabolism. (PMID 14607529) D007155 - Immunologic Factors 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3]. 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3].
Chlordiazepoxide
Chlordiazepoxide is only found in individuals that have used or taken this drug. It is an anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal. [PubChem]Chlordiazepoxide binds to stereospecific benzodiazepine (BZD) binding sites on GABA (A) receptor complexes at several sites within the central nervous system, including the limbic system and reticular formation. This results in an increased binding of the inhibitory neurotransmitter GABA to the GABA(A) receptor.BZDs, therefore, enhance GABA-mediated chloride influx through GABA receptor channels, causing membrane hyperpolarization. The net neuro-inhibitory effects result in the observed sedative, hypnotic, anxiolytic, and muscle relaxant properties. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Erysodine
Erysodine is found in green vegetables. Erysodine is an alkaloid from Erythrina fusca (gallito
(R)-Juziphine
(R)-Juziphine is found in fruits. (R)-Juziphine is an alkaloid from the leaves of Zizyphus jujuba (Chinese date). Alkaloid from the leaves of Zizyphus jujuba (Chinese date). (R)-Juziphine is found in fruits.
N-Acetoxymethylflindersine
C17H17NO4 (299.11575220000003)
N-Acetoxymethylflindersine is found in fruits. N-Acetoxymethylflindersine is an alkaloid from leaves of Zanthoxylum simulans (Szechuan pepper). Alkaloid from leaves of Zanthoxylum simulans (Szechuan pepper). N-Acetoxymethylflindersine is found in herbs and spices and fruits.
Pandamarilactone 32
Pandamarilactone 32 is a food flavouring. Pandamarilactone 32 is a major alkaloid from leaves of Pandanus amaryllifolius. Food flavouring. Major alkaloid from leaves of Pandanus amaryllifolius
beta-D-Glucopyranosyl anthranilate
beta-D-Glucopyranosyl anthranilate is found in fruits. beta-D-Glucopyranosyl anthranilate is a constituent of the fruit of pi~nuela Bromelia plumieri.
Marshdine
Marshdine is found in citrus. Marshdine is an alkaloid from roots of marsh grapefruit Citrus paradisi (Rutaceae). Alkaloid from roots of marsh grapefruit Citrus paradisi (Rutaceae). Marshdine is found in citrus.
Avenanthramide 1c
Avenanthramide 1c is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Secoclausenamide
Secoclausenamide is found in fruits. Secoclausenamide is an alkaloid from Clausena lansium (wampee). Alkaloid from Clausena lansium (wampee). Secoclausenamide is found in fruits.
(2E,6E)-Piperamide-C7:2
(2E,6E)-Piperamide-C7:2 is found in herbs and spices. (2E,6E)-Piperamide-C7:2 is a constituent of the fruits of pepper (Piper nigrum) and cha-plu (Piper sarmentosum) (Piperaceae). Constituent of the fruits of pepper (Piper nigrum) and cha-plu (Piper sarmentosum) (Piperaceae). (2E,6E)-Piperamide-C7:2 is found in herbs and spices and pepper (spice).
Avenanthramide G
Avenanthramide G is found in cereals and cereal products. Avenanthramide G is a stress metabolite in oats (Avena sativa) induced by Victorin M
N-depropylpropafenone
N-depropylpropafenone is a metabolite of propafenone. Propafenone is a class of anti-arrhythmic medication, which treats illnesses associated with rapid heart beats such as atrial and ventricular arrhythmias. (Wikipedia)
Thiazinamium
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Thiazinamium is a first-generation phenothiazine H1-antihistamine.
2,3-dimethylidenepentanedioylcarnitine
C14H21NO6 (299.13688060000004)
2,3-dimethylidenepentanedioylcarnitine is an acylcarnitine. More specifically, it is an 2,3-dimethylidenepentanedioic 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. 2,3-dimethylidenepentanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2,3-dimethylidenepentanedioylcarnitine 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].
1-Chloro-diethylcarbamoyl-1-propen-2-yl dimethyl phosphate
Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-
5-(N-Methyl-N-isobutyl)amiloride
6-Thioguanosine
C10H13N5O4S (299.0688218000001)
8-Oxoguanosine
C10H13N5O6 (299.08657980000004)
Besifovir
C10H14N5O4P (299.07833740000007)
C254 - Anti-Infective Agent > C281 - Antiviral Agent
Ethylisopropylamiloride
D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062686 - Epithelial Sodium Channel Blockers D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062646 - Acid Sensing Ion Channel Blockers D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D020011 - Protective Agents
5-Amino-N'-[2-(2-chlorophenyl)ethyl]-N-cyanopyridine-3-carboximidamide
Niraxostat
C16H17N3O3 (299.12698520000004)
C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor
(4R,4Ar,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,11a,12a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
alpha-Cephalin
Alpha-cephalin, also known as alpha-cephalin, is a member of the class of compounds known as phosphatidylethanolamines. Phosphatidylethanolamines are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. Alpha-cephalin is soluble (in water) and a moderately acidic compound (based on its pKa). Alpha-cephalin can be found in flaxseed and peanut, which makes alpha-cephalin a potential biomarker for the consumption of these food products. Alpha-cephalin, also known as α-cephalin, is a member of the class of compounds known as phosphatidylethanolamines. Phosphatidylethanolamines are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. Alpha-cephalin is soluble (in water) and a moderately acidic compound (based on its pKa). Alpha-cephalin can be found in flaxseed and peanut, which makes alpha-cephalin a potential biomarker for the consumption of these food products.
Salicylic acid 2-beta-D-glucoside
Salicylic acid 2-beta-d-glucoside, also known as 2-O-β-glucopyranosylsalicylic acid or sag, is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Salicylic acid 2-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Salicylic acid 2-beta-d-glucoside can be found in common thyme, rosemary, sweet basil, and sweet marjoram, which makes salicylic acid 2-beta-d-glucoside a potential biomarker for the consumption of these food products.
Methyl
C17H17NO4 (299.11575220000003)
8-(acetylamino)-5,6,7,8-tetrahydro-6,7-dihydroxy-5-(hydroxymethyl)imidazo[1 ,2-a]pyridine-2-acetic acid
1-methyl-2,3,5,5a,12b,12c-hexahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1h)-one
C17H17NO4 (299.11575220000003)
3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
N-cis-Caffeoyltyramine
C17H17NO4 (299.11575220000003)
Ethyl 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)amino]-2-cyanoacrylate
C16H17N3O3 (299.12698520000004)
2-(6-amino-8-sulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
C10H13N5O4S (299.0688218000001)
6-Methoxy-2-(4-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
(+)-dihydromecambrinol-D|(-)-Roemeramin|(1S)-3-methyl-(1rC2,1rC2,2ac)-2a,3,4,5-tetrahydro-2H-spiro[cyclohex-2-ene-1,1-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4t-ol|remeramine|roemeramine
1,3,4-Trimethoxy-10-methylacridin-9(10H)-one
C17H17NO4 (299.11575220000003)
1,2,3-trimethoxy-10-methylacridin-9(10h)-one
C17H17NO4 (299.11575220000003)
3-methoxy-4,6-dihydroxymorphinandien-7-one
C17H17NO4 (299.11575220000003)
1,3,5-Trimethoxy-10-methylacridin-9(10H)-one
C17H17NO4 (299.11575220000003)
Komarovicine
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
1,2,4-Trimethoxy-10-methyl-10H-acridin-9-on|1,2,4-trimethoxy-10-methyl-10H-acridin-9-one|1,3,4-Trimethoxy-N-methyl-acridon
C17H17NO4 (299.11575220000003)
(-)-cereolactam
C17H17NO4 (299.11575220000003)
A natural product found in Coniothyrium cereale.
(5-methoxy-2-methylisoindolin-1-yl)(4-methoxyphenyl)methanol
3beta-hydroxy-cyclo-L-tryptophyl-L-prolinetryptostatin A
C16H17N3O3 (299.12698520000004)
O1-(4-methylamino-phenyl)-beta-D-glucopyranuronic acid|O1-(4-Methylamino-phenyl)-beta-D-glucopyranuronsaeure
(3beta)-1,6-didehydro-3-methoxy-15,16-[methylenebis(oxy)]-erythrinan|3beta-methoxy-15,16-methanediyldioxy-erythrin-1(6)-ene|3beta-Methoxy-15,16-methylendioxy-erythrin-1(6)-en|3beta-methoxy-15,16-methylenedioxy-erythrin-1(6)-ene|Erythramin|erythramine
7-(2,3-Epoxy-3-methylbutoxy)-4-methoxyfuro[2,3-b]quinoline
C17H17NO4 (299.11575220000003)
4-(5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isochinolin-5-ylmethyl)-brenzcatechin|4-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-benzene-1,2-diol|4-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-pyrocatechol|Norcinnamolaurine
C17H17NO4 (299.11575220000003)
(-)-Swainsonine triacetate|1,2,8-tri-O-acetylswainsonine|Acetic acid (1S,2R,8R,8aR)-1,2-diacetoxyoctahydroindolizin-8-yl ester|swainsonine triacetate|Swainsonintriacetat|tri-O-acetylswainsonine
C14H21NO6 (299.13688060000004)
1-(2-Carboxy-phenylamino)-1-desoxy-D-fructose|1-<2-Carboxy-anilino>-1-desoxy-fructose|N-(1-deoxy-D-fructose-1-yl)-anthranilic acid|N-(1-Desoxy-D-fructose-1-yl)-anthranilsaeure
Codeine
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives A morphinane alkaloid found in the opium poppy, Papaver somniferum var. album; has analgesic, anti-tussive and anti-diarrhoeal properties. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics relative retention time with respect to 9-anthracene Carboxylic Acid is 0.308 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.294 IPB_RECORD: 924; CONFIDENCE confident structure CONFIDENCE standard compound; EAWAG_UCHEM_ID 2780
Hydrocodone
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives 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 C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 3332
Kresoxim-methyl acid
C17H17NO4 (299.11575220000003)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3463
Adenosine,7,8-dihydro-8-thioxo-
C10H13N5O4S (299.0688218000001)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.330 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.332
N-[3-(3,4-Dihydroxy-phenyl)-acryloyl]-2-hydroxy-benzamide
5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
C17H17NO4 (299.11575220000003)
(2e)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-Hydroxyphenyl)ethyl]acrylamide
C17H17NO4 (299.11575220000003)
metoclopramide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents CONFIDENCE standard compound; INTERNAL_ID 10; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE standard compound; INTERNAL_ID 2289
(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-5-fluorophenyl)(phenyl)methanol
N-[(diphenylmethoxy)acetyl]-Glycine
C17H17NO4 (299.11575220000003)
PC(O-2:0/O-1:0)
PC(2:0/0:0)
PC(2:0/0:0)[U]
PC(0:0/2:0)
PC(0:0/2:0)[U]
8-Oxoguanosine
C10H13N5O6 (299.08657980000004)
8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3]. 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3].
Erysodine
An erythrina alkaloid with formula C18H21NO3 isolated from several erythrina plant species. It is a competitive antagonist of nicotinic acetylcholine receptors and exhibits antiparasitic and insecticidal activities.
N-p-coumaroyloctopamine
C17H17NO4 (299.11575220000003)
N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1]. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1].
Pandamarilactone 32
N-Acetoxymethylflindersine
C17H17NO4 (299.11575220000003)
3-[[2-(4-ethylphenoxy)acetyl]amino]benzoic acid
C17H17NO4 (299.11575220000003)
4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
C13H21N3O3S (299.13035560000003)
6,7-diethoxy-2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione
C17H17NO4 (299.11575220000003)
(1s, 2s)-(1-benzyl-3-chloro-2-hydroxy-propyl)-carbamic acid tert-butyl ester
C15H22ClNO3 (299.12881319999997)
cis-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole-1-one
N7-BUTYL-N2-PHENYLTHIAZOLO[5,4-D]PYRIMIDINE-2,7-DIAMINE
2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
C13H17NO5S (299.08273920000005)
3-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]propan-1-ol
3-(DIMETHYLCARBAMOYL)-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C17H17NO4 (299.11575220000003)
N-(3-Acetylphenyl)-3,4-dimethoxybenzamide
C17H17NO4 (299.11575220000003)
PCO 400
C17H17NO4 (299.11575220000003)
Nortriptyline Hydrochloride
C19H22ClN (299.14406820000005)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators Nortriptyline (Desmethylamitriptyline) hydrochloride, the main active metabolite of Amitriptyline, is a tricyclic antidepressant. Nortriptyline hydrochloride is a potent autophagy inhibitor and has anticancer effects[1][2][3].
ETHYL 2-(((1S,2R)-2-HYDROXY-1,2-DIPHENYLETHYL)AMINO)ACETATE
Benz[5,6]isoindolo[2,1-b]isoquinoline-8,13-dione,5,14-dihydro-
3-(ETHYLCARBAMOYL)-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C17H17NO4 (299.11575220000003)
3-AMINO-3-(10-CHLORO-ANTHRACEN-9-YL)-PROPIONIC ACID
3-AMINO-3-[5-(2-TRIFLUOROMETHYLPHENYL)-FURAN-2-YL]-PROPIONIC ACID
1-[(4-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
C15H22ClNO3 (299.12881319999997)
6-Thioguanosine
C10H13N5O4S (299.0688218000001)
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 6-Thioguanosine (6-Mercaptoguanosine), an active nucleoside, is an Azathioprine metabolite. 6-Thioguanosine has immunosuppressive effects[1].
ETHYL 2-(((1R,2S)-2-HYDROXY-1,2-DIPHENYLETHYL)AMINO)ACETATE
（s）-1-benzyl-2-methyl-4，4-difluoropyrrolidine-1，2-dicarb
(4-(((BENZYLOXY)CARBONYL)(ETHYL)AMINO)PHENYL)BORONIC ACID
1-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
C15H22ClNO3 (299.12881319999997)
2-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
(4-(2-(((Benzyloxy)carbonyl)amino)ethyl)phenyl)boronic acid
5-AMINO-1-[4-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Pyrrolidine,3-(diphenylmethylene)-1-ethyl-, hydrochloride (1:1)
C19H22ClN (299.14406820000005)
1-BENZYL-4-(2-FLUORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
1-(pyridin-3-ylmethyl)piperidin-3-amine(SALTDATA: 3HCl 0.7H2O 0.05(C2H5)2O)
C11H20Cl3N3 (299.07227300000005)
2-[[(3,5-Dimethyl-2-pyridinyl)Methyl]thio]-6-Methoxy-1H-benzimidazole
(2-naphthoxy)acetic acid n-hydroxysuccinimide ester
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDINECARBOX
hexyl (NZ)-N-[amino-(4-aminophenyl)methylidene]carbamate,hydrochloride
methyl 4-hydroxyimino-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
C13H17NO3S2 (299.06498120000003)
4-[4-(1-Hydroxyethyl)-2-methoxy-5-nitrophenoxy]butanoic Acid
(E)-2-chloro-3-dimethoxyphosphoryloxy-N,N-diethyl-but-2-enamide
2-[(1,1-dioxothiolan-3-yl)amino]-3-(4-hydroxyphenyl)propanoic acid
C13H17NO5S (299.08273920000005)
ethyl 4-(methoxyimino)-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
C13H17NO3S2 (299.06498120000003)
5-(cyclohexen-1-yl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
C16H17N3O3 (299.12698520000004)
Frentizole
C15H13N3O2S (299.07284380000004)
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
3-[(4-fluorophenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
2-[N-(2-hydroxyethyl)-4-(2-methoxyethylamino)-3-nitroanilino]ethanol
tert-butyl 3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate
C14H21NO6 (299.13688060000004)
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(5-methyl-isoxazol-3-yl)-acetamide
Aconiazide
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
4-CHLORO-7-MESITYL-2,5-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE
(2R,3S)-3-(TERT-BUTOXYCARBONYLAMINO)-1-CHLORO-2-HYDROXY-4-PHENYLBUTANE
C15H22ClNO3 (299.12881319999997)
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-(5-methyl-isoxazol-3-yl)-acetamide
Protriptyline hydrochloride
C19H22ClN (299.14406820000005)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
N-(9H-fluoren-2-yl)-1-(4-methoxyphenyl)methanimine
BENZYL 9-OXO-3-AZASPIRO[5.5]UNDEC-7-ENE-3-CARBOXYLATE
4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol
C16H17N3O3 (299.12698520000004)
4-(chloromethyl)-5-methyl-2-(4-phenoxyphenyl)-1,3-oxazole
1H-Benz[g]indole-3-carboxaldehyde,2-(2,4-dimethylphenyl)-(9CI)
1H-Benz[g]indole-3-carboxaldehyde,2-(3,4-dimethylphenyl)-(9CI)
1H-Benz[g]indole-3-carboxaldehyde,2-(4-ethylphenyl)-(9CI)
((1-((6-AMINO-9H-PURIN-9-YL)METHYL)CYCLOPROPOXY)METHYL)PHOSPHONIC ACID
C10H14N5O4P (299.07833740000007)
2-[2-(Cbz-aMino)phenyl]-1,3-dioxolane
C17H17NO4 (299.11575220000003)
Methyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
C14H21NO6 (299.13688060000004)
1H-Benz[g]indole-3-carboxaldehyde,2-(2,5-dimethylphenyl)-(9CI)
1-(2-METHOXYETHYL)-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
Methyl (2R,3S)-N-Benzoyl-3-Phenylisoserine
C17H17NO4 (299.11575220000003)
1,1,1,3,3,3-hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol
1-METHYL-4-(3-(METHYLSULFONYL)-5-NITROPHENYL)PIPERAZINE
C12H17N3O4S (299.09397220000005)
Thienamycin p-nitrobenzylester hydrochloride (N-methylpyrrolidinonesolvate)
C12H17N3O4S (299.09397220000005)
1-PYRIDIN-2-YLMETHYL-PIPERIDIN-4-YLAMINE
C11H20Cl3N3 (299.07227300000005)
4-[(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLCARBONYL)AMINO]BENZENECARBOXYLIC ACID
5-(4-fluorophenyl)pyridine-3-boronic acid pinacol ester
N4-Ac-2-OMe-rC
N4-Acetyl-2'-O-methylcytidine (ac4Cm) is an RNA with dual acetylation and methoxidation modifications found in thermophilic archaea. N4-Acetyl-2'-O-methylcytidine has been implicated in the adaptability of archaea in extreme environments, enhancing RNA stability through dual modification[1].
1-(furan-2-yl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone
C16H17N3O3 (299.12698520000004)
2-chloro-5-(5,6-dimethyl-1H-indol-2-yl)benzoic acid
4-(1-{[(Benzyloxy)carbonyl]amino}ethyl)benzoic acid
C17H17NO4 (299.11575220000003)
BENZYL (BENZO[D][1,3]DIOXOL-5-YLMETHYL)(METHYL)CARBAMATE
C17H17NO4 (299.11575220000003)
Metopon
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
6-Amino-5-sulfamoylpyridine-3-boronic acid pinacol ester
C11H18BN3O4S (299.11110180000003)
tert-Butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
C12H17N3O4S (299.09397220000005)
2-cyclopropyl formamidoimidazole-5-chloro benzophenone
3-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
METHYL 4-METHYL-2-([(4-METHYLPHENYL)SULFONYL]AMINO)PENTANOATE
Melperone hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
2-Amino-6-phthalimido-4,5,6,7-tetrahydrobenzothiazole
C15H13N3O2S (299.07284380000004)
[4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl pivalate
N-Cbz-4-(1,3-dioxolan-2-yl)aniline
C17H17NO4 (299.11575220000003)
(1R,2R,3S)-2-hydroxymethyl-3-(3,4-dichlorophenyl)-tropane
C15H19Cl2NO (299.08436240000003)
(5-(N-cyclopentylsulfamoyl)-2-Methoxyphenyl)boronic acid
Methyl 1-(2-(3,5-difluorophenyl)-2-hydroxyethylaMino)cyclopentanecarboxylate
N-(4-broMo-3-fluorobenzyl)-N-MethylcyclohexanaMine
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-rel-
(4S)-4-Phenyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester, min. 97\\%
C13H17NO5S (299.08273920000005)
Imidazo[1,2-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-1,8-dimethyl-4-oxo-, ethyl ester
C16H17N3O3 (299.12698520000004)
1-(1-PHENYLETHYL)-1H-PYRAZOL-5-AMINE
C11H20Cl3N3 (299.07227300000005)
3-[(3-nitrophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione
Pentiapine
C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
(Z)-2-Methoxy-5-(2-(7-Methoxy-Benzo[D][1,3]Dioxol-5-Yl)Vinyl)Aniline
C17H17NO4 (299.11575220000003)
5-AMINO-1-[5-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Diethyl 2-acetamido-2-(2,2,2-trifluoroethyl)malonate
6-(4-Fluorophenyl)pyridine-3-boronic acid pinacol ester
2-[4-(TERT-BUTYL)PHENOXY]-5-NITROBENZALDEHYDE
C17H17NO4 (299.11575220000003)
Methyl 4-hydroxy-1-tosylpyrrolidine-2-carboxylate
C13H17NO5S (299.08273920000005)
(4-Methoxy-3-(piperidin-1-ylsulfonyl)phenyl)boronic acid
4-OXO-3-PHENETHYL-10-OXA-3-AZA-TRICYCLO[5.2.1.0(1,5)]DEC-8-ENE-6-CARBOXYLIC ACID
C17H17NO4 (299.11575220000003)
Carbamic acid,(2,4-dinitrophenoxy)-, 1,1-dimethylethyl ester (9CI)
C11H13N3O7 (299.07534680000003)
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-YL)METHANESULFONAMIDE
C11H18BN3O4S (299.11110180000003)
Ethyl 2-(1H-benzimidazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidin ecarboxylate
(E)-N-(3,4-DIHYDROXYPHENETHYL)-3-(4-HYDROXYPHENYL)ACRYLAMIDE
C17H17NO4 (299.11575220000003)
Triphenyltetrazolium
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts D004396 - Coloring Agents
N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,5,6-trimethyl-2-benzofurancarboxamide
C16H17N3O3 (299.12698520000004)
4-chloro-N-(1,2-dimethyl-5-benzimidazolyl)benzamide
1,3-Dimethyl-7,9-dihydrospiro[indole-3,8-purine]-2,2,6(1h,1h,3h)-trione
4-[(2,4-difluoroanilino)methylidene]-3-phenyl-1H-pyrazol-5-one
3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
4-amino-N-(2-oxolanylmethyl)-3-prop-2-enyl-2-sulfanylidene-5-thiazolecarboxamide
C12H17N3O2S2 (299.07621420000004)
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4,6-dimethyl-2-pyrimidinyl)guanidine
Prop-2-En-1-Yl (2s)-2-[(2s,3r)-3-(Acetyloxy)-1-Oxobutan-2-Yl]-2,3-Dihydro-1,3-Thiazole-4-Carboxylate
C13H17NO5S (299.08273920000005)
AIDS-226940
Codein
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants > R05DA - Opium alkaloids and derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
beta-D-Glucopyranosyl anthranilate
beta-D-Glucopyranosyl anthranilate is found in fruits. beta-D-Glucopyranosyl anthranilate is a constituent of the fruit of pi~nuela Bromelia plumieri. Constituent of the fruit of pi~nuela Bromelia plumieri. Glucopyranosyl anthranilate is found in fruits and corn.
2-Chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate
N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide
2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
4-(beta-D-glucosyloxy)benzoate
A benzoate resulting from the removal of a proton from the carboxylic acid group of 4-(beta-D-glucosyloxy)benzoic acid.
trimethyl-[2-(4-phosphonooxy-1H-indol-3-yl)ethyl]azanium
C13H20N2O4P+ (299.11606300000005)
(2S)-5-oxo-5-[[(3S)-2-oxopiperidin-3-yl]amino]-2-(propanoylamino)pentanoic acid
8-hydroxyguanosine
C10H13N5O6 (299.08657980000004)
D007155 - Immunologic Factors 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3]. 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3].
saxitoxin
An alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning. D009676 - Noxae > D011042 - Poisons > D008978 - Mollusk Venoms D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
2,3-dimethylidenepentanedioylcarnitine
C14H21NO6 (299.13688060000004)
(4R,4Ar,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,11a,12a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
1-[(2E,4E)-7-(3,4-methylenedioxyphenyl)-2,4-heptadienoyl]pyrrolidine
A natural product found in Piper boehmeriaefolium.
Streptoverticillin
A carbazole alkaloid that is 9H-carbazole substituted by a methyl group at position 2, methoxy groups at positions 3 and 4 and a (2S)-2-hydroxypropyl group at position 1. Isolated from mycelial solid culture of Streptoverticillium morookaense, it exhibits antifungal activity.
1-(4-Tert-butylphenyl)-3-(3-pyridinylmethyl)thiourea
C17H21N3S (299.14561060000005)
3-(5-Cycloheptylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl)propanoic acid
C13H17NO3S2 (299.06498120000003)
[2-[benzyl(methyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
C17H17NO4 (299.11575220000003)
(E)-1-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylprop-2-en-1-one
N-(3-{4-nitrophenyl}-2-propenylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
N-(1-tert-butyl-5-benzimidazolyl)-2-thiophenecarboxamide
1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea
2-Methoxy-5-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenoxy)acetamide
C17H17NO4 (299.11575220000003)
6-methyl-2-[(4-nitrophenyl)methylthio]-1H-benzimidazole
C15H13N3O2S (299.07284380000004)
2,5-Dimethyl-3-furancarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
C17H17NO4 (299.11575220000003)
(4-nitrophenyl) (1E)-2-oxo-N-phenylpropanehydrazonate
3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone
C15H13N3O2S (299.07284380000004)
N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]ethanamine
C17H21N3S (299.14561060000005)
[3-Fluoro-4-(4-morpholinyl)phenyl]-(4-methylphenyl)methanone
3-(2-Furanyl)-3-(4-methylphenyl)-1-(4-morpholinyl)-1-propanone
2-[2-[(1-Phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethoxy]ethanol
3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-aminium chloride
C19H22ClN (299.14406820000005)
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-3-isoxazolecarboxamide
C15H13N3O2S (299.07284380000004)
Diethyl 2-(2-methylpropylamino)thiophene-3,4-dicarboxylate
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]acetic acid methyl ester
C15H13N3O2S (299.07284380000004)
5-[(2-chlorophenyl)hydrazo]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one
3-(2-methylphenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
4-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazin-1-ium
N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethyluran-3-carboxamide
C16H17N3O3 (299.12698520000004)
1-(2-methoxyphenyl)-3-[(E)-(3-methylphenyl)methylideneamino]thiourea
2-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
C10H13N5O4S (299.0688218000001)
2-(4-Dimethylaminophenyl)-3-(2-pyridyl)thiazolidin-4-one
Methyl 4-[[2-(pyridin-4-ylmethylamino)acetyl]amino]benzoate
C16H17N3O3 (299.12698520000004)
(5R,6R)-3-[2-(aminomethylideneamino)ethylthio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C12H17N3O4S (299.09397220000005)
4-Aza-17-oxoestra-1,3,5(10)-triene-3-carboxylic acid
an (S)-7,8,13,14-tetrahydroprotoberberine
C17H17NO4 (299.11575220000003)
(2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3R,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
7-(dimethylamino)-3,4-dioxo-10H-phenoxazine-1-carboxamide
5,5-Dimethyl-2-[(E)-3-(4-methylanilino)prop-2-enoyl]cyclohexane-1,3-dione
Propan-2-yl 5-methyl-7-pyridin-3-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3-chlorobenzoate
N-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybenzamide
2-Aminoethyl (3-hexoxy-2-hydroxypropyl) hydrogen phosphate
(2-Hydroxy-3-propoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate
(4aR,7S,7aR,12bS)-3,11-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
N-trans-p-Coumaroyloctopamine
C17H17NO4 (299.11575220000003)
Alkaloid from roots of bell pepper (Capsicum annuum variety grossum). N-trans-p-Coumaroyloctopamine is found in many foods, some of which are orange bell pepper, herbs and spices, eggplant, and red bell pepper. N-trans-p-Coumaroyloctopamine is found in eggplant. N-trans-p-Coumaroyloctopamine is an alkaloid from roots of bell pepper (Capsicum annuum var. grossum). N-trans-p-coumaroyloctopamine is a member of styrenes. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1]. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1].
Imipenem
C12H17N3O4S (299.09397220000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams A broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup. C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Neopine
A morphinane alkaloid that is the Delta(8,14) isomer of codeine. It is a minor constituent in opium from Papaver somniferum. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
3-Hydroxyestra-1,3,5(10)-triene-16,17-dione 16-oxime
Thiazinamium
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Ethylisopropylamiloride
D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062686 - Epithelial Sodium Channel Blockers D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062646 - Acid Sensing Ion Channel Blockers D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D020011 - Protective Agents
6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
Dicodid
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 D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
2-acetyl-sn-glycero-3-phosphocholine
A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group at position 2 is specified as acetyl.
pyridinestrone-3-carboxylic acid
An aza-steroid that is 17-oxoestra-1,3,5(10)-triene-3-carboxylic acid in which the carbon at position 4 in the A-ring has been replaced by a nitrogen. An abiotic metabolite in the 4,5-seco pathway of aerobic estrogen degradation by the bacterium Sphingomonas sp. strain KC8.
2-(beta-D-glucopyranosyloxy)benzoate
A benzoate resulting from the removal of a proton from the carboxylic acid group of 2-(beta-D-glucopyranosyloxy)benzoic acid.
(R)-4-Phosphopantothenic acid
An amidoalkyl phosphate that is the 4-phosphate derivative of (R)-pantothenic acid.
5-Azidomethyl-uridine
C10H13N5O6 (299.08657980000004)
5-Azidomethyl-uridine is a click chemistry reagent containing an azide group.The azide function is widely used for coupling to alkyne-containing fragments via the renowned Click reaction[1]. 5-Azidomethyl-uridine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
Pifithrin-α, p-Nitro, Cyclic
C15H13N3O2S (299.07284380000004)
Pifithrin-α, p-Nitro, Cyclic (PFN-α) is cell-permeable and active-form p53 inhibitor. Pifithrin-α, p-Nitro, Cyclic is one order magnitude more active than Pifithrin-α in protecting cortical neurons exposed to Etoposide (ED50=30 nM). Pifithrin-α, p-Nitro, Cyclic behaves as a p53 posttranscriptional activity inhibitor. Pifithrin-α, p-Nitro, Cyclic do not prevent p53 phosphorylation on the S15 residue[1][2].