Exact Mass: 299.1521356
Exact Mass Matches: 299.1521356
Found 457 metabolites which its exact mass value is equals to given mass value 299.1521356,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
indicine
Rinderine is a member of pyrrolizines. Rinderine is a natural product found in Chromolaena odorata, Eupatorium japonicum, and other organisms with data available.
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
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.
Neopine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids Neopine is found in opium poppy. Minor alkaloid of opium (Papaver somniferum
6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
Ethylketocyclazocine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
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
Lycopsamine
Lycopsamine, also known as indicine or 9-viridiflorylretronecine, belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Lycopsamine is soluble (in water) and a very weakly acidic compound (based on its pKa). Lycopsamine can be found in borage, which makes lycopsamine a potential biomarker for the consumption of this food product. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2270
intermedine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2293
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].
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
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).
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
2-(3-carboxy-3-(trimethylammonio)propyl)-l-histidine is part of the Protein modification pathway. It is a substrate for: Diphthine synthase.
Diphthine
This compound belongs to the family of Alpha Amino Acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
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].
3-Hydroxyocta-2,5-dienoylcarnitine
3-hydroxyocta-2,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-2,5-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-2,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-2,5-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxyocta-2,6-dienoylcarnitine
3-hydroxyocta-2,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-2,6-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-2,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-2,6-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxyocta-3,6-dienoylcarnitine
3-hydroxyocta-3,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-3,6-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-3,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-3,6-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxyocta-2,4-dienoylcarnitine
3-hydroxyocta-2,4-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-2,4-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-2,4-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-2,4-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(4Z,6Z)-3-Hydroxyocta-4,6-dienoylcarnitine
(4Z,6Z)-3-hydroxyocta-4,6-dienoylcarnitine is an acylcarnitine. More specifically, it is an (4Z,6Z)-3-hydroxyocta-4,6-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (4Z,6Z)-3-hydroxyocta-4,6-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (4Z,6Z)-3-hydroxyocta-4,6-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
3-Hydroxyocta-3,5-dienoylcarnitine
3-hydroxyocta-3,5-dienoylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxyocta-3,5-dienoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-hydroxyocta-3,5-dienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxyocta-3,5-dienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(+/-)-Ethylketocyclazocine
(1R,9S)-10-(Cyclopropylmethyl)-12-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-
5-(N-Methyl-N-isobutyl)amiloride
1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
Benz(cd)indole-6-carboxamide, 4-(dipropylamino)-1,3,4,5-tetrahydro-
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
Indicine
3-Pyridinemethanol, 6-amino-alpha-(((1-methyl-4-phenylbutyl)amino)methyl)-
Niraxostat
C16H17N3O3 (299.12698520000004)
C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor
Nylidrin
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AA - 2-amino-1-phenylethanol derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics 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 D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
(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
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)
nylidrin
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AA - 2-amino-1-phenylethanol derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics 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 D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; INTERNAL_ID 6; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) INTERNAL_ID 6; CONFIDENCE standard compound; 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)
6-Methoxy-2-(4-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
(+-)-7,8,9-trimethyl-eleocarpine|(+-)-Elaeocarpin|6a,11,12a,12b-tetramethyl-(6ar,12at,12bc)-1,2,3,5,6,6a,12a,12b-octahydro-chromeno[2,3-g]indolizin-12-one
3,4-Dihydro,1-hydroxy-Dictyolomide A|dictylomide B
(+)-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)
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methyl-3-methyl-2-butenamide
(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)
Intermedina
Intermedine is a carboxylic ester compound formed from condensation between retronecine and (2S,3R)-2,3-dihydroxy-2-isopropylbutanoic acid. It is a member of pyrrolizines, an azabicycloalkane and a carboxylic ester. Intermedine is a natural product found in Eupatorium cannabinum, Chromolaena odorata, and other organisms with data available. See also: Comfrey Leaf (part of); Comfrey Root (part of).
indicine
Lycopsamine is a member of pyrrolizines. Lycopsamine is a natural product found in Brickellia grandiflora, Eupatorium cannabinum, and other organisms with data available. See also: Comfrey Leaf (part of); Comfrey Root (part of); Borage (part of).
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
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
C17H17NO4 (299.11575220000003)
PYR_300.1709_10.6
CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1); INTERNAL_ID 1710
(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
echinatine
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids
(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]
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)
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
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)
7-Ethoxycarbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3,3,1]nonan-3-ol
4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate
N7-BUTYL-N2-PHENYLTHIAZOLO[5,4-D]PYRIMIDINE-2,7-DIAMINE
3-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]propan-1-ol
3-(DIMETHYLCARBAMOYL)-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C17H17NO4 (299.11575220000003)
1H-IMIDAZO[4,5-C]QUINOLINE-1-PROPANAMINE,4-AMINO-2-(ETHOXYMETHYL)
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
N2-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDINE-2,5-DIAMINE
3-(ETHYLCARBAMOYL)-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C17H17NO4 (299.11575220000003)
1-[(4-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
C15H22ClNO3 (299.12881319999997)
ETHYL 2-(((1R,2S)-2-HYDROXY-1,2-DIPHENYLETHYL)AMINO)ACETATE
5-BOC-1-PHENYL-1,4,6,7-TETRAHYDROPYRAZOLO[4,3-C]PYRIDINE
(4-(((BENZYLOXY)CARBONYL)(ETHYL)AMINO)PHENYL)BORONIC ACID
Urea, N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]-N,N-dimethyl- (9CI)
1-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
C15H22ClNO3 (299.12881319999997)
(4-(2-(((Benzyloxy)carbonyl)amino)ethyl)phenyl)boronic acid
4-(2-ETHOXYCARBONYL-ACETYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Pyrrolidine,3-(diphenylmethylene)-1-ethyl-, hydrochloride (1:1)
C19H22ClN (299.14406820000005)
1-BENZYL-4-(2-FLUORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
2-[[(3,5-Dimethyl-2-pyridinyl)Methyl]thio]-6-Methoxy-1H-benzimidazole
1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol,hydrochloride
hexyl (NZ)-N-[amino-(4-aminophenyl)methylidene]carbamate,hydrochloride
1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBONITRILE
TRAMADOL HYDROCHLORIDE
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-(cyclohexen-1-yl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
C16H17N3O3 (299.12698520000004)
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
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
Piperazine, 1-[(3-formyl-2-methyl-1H-indol-1-yl)acetyl]-4-methyl- (9CI)
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
butyl prop-2-enoate,methyl 2-methylprop-2-enoate,prop-2-enamide
Azepino[4,5-b]indole-5-carboxylic acid, 9-amino-1,2,3,6-tetrahydro-1,1-dimethyl-, ethyl ester
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)
2-Methyl-2-propanyl 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro -1(2H)-pyridinecarboxylate
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)
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)(4-phenyl-1-piperazinyl)
2-[2-(Cbz-aMino)phenyl]-1,3-dioxolane
C17H17NO4 (299.11575220000003)
1-Oxa-8-azaspiro[4.5]decane-3-acetic acid, 8-[(1,1-dimethylethoxy)carbonyl]-
Methyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
C14H21NO6 (299.13688060000004)
3,3-DIMETHOXY-ALPHA-METHYLDIPHENETHYLAMINE HYDROCHLORIDE
1H-Benz[g]indole-3-carboxaldehyde,2-(2,5-dimethylphenyl)-(9CI)
Methyl (2R,3S)-N-Benzoyl-3-Phenylisoserine
C17H17NO4 (299.11575220000003)
7-Boc-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
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].
5-METHYL-2-((3-(4-METHYLPIPERAZIN-1-YL)PHENYL)AMINO)PYRIMIDIN-4(3H)-ONE
TRIMETHYL[3-(TRIETHOXYSILYL)PROPYL]AMMONIUM CHLORIDE
TERT-BUTYL 3-PHENYL-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
1-(furan-2-yl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone
C16H17N3O3 (299.12698520000004)
4-(1-{[(Benzyloxy)carbonyl]amino}ethyl)benzoic acid
C17H17NO4 (299.11575220000003)
6-[4-[2-(dimethylamino)ethyl]-5-ethyl-2-methoxyphenyl]pyridin-2-amine
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)
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
[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)
(R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
Methyl 1-(2-(3,5-difluorophenyl)-2-hydroxyethylaMino)cyclopentanecarboxylate
(S)-2-{[(((1R,2R)-2-(allyloxy)cyclopentyl)oxy)carbonyl]amino}-3,3-dimethylbutanoic acid
Imidazo[1,2-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-1,8-dimethyl-4-oxo-, ethyl ester
C16H17N3O3 (299.12698520000004)
3-(2-ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid tert-butyl ester
Pentiapine
C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(decyloxy)-, ammonium salt
(Z)-2-Methoxy-5-(2-(7-Methoxy-Benzo[D][1,3]Dioxol-5-Yl)Vinyl)Aniline
C17H17NO4 (299.11575220000003)
6-(4-Fluorophenyl)pyridine-3-boronic acid pinacol ester
2-[4-(TERT-BUTYL)PHENOXY]-5-NITROBENZALDEHYDE
C17H17NO4 (299.11575220000003)
4-OXO-3-PHENETHYL-10-OXA-3-AZA-TRICYCLO[5.2.1.0(1,5)]DEC-8-ENE-6-CARBOXYLIC ACID
C17H17NO4 (299.11575220000003)
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-YL)METHANESULFONAMIDE
C11H18BN3O4S (299.11110180000003)
(E)-N-(3,4-DIHYDROXYPHENETHYL)-3-(4-HYDROXYPHENYL)ACRYLAMIDE
C17H17NO4 (299.11575220000003)
4-Carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole
Triphenyltetrazolium
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013778 - Tetrazolium Salts D004396 - Coloring Agents
2-[(3S)-3-carboxy-3-(trimethylammonio)propyl]-L-histidine
3-Cyclopropylmethyl-5-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
4-(Dipropylamino)-1,3,4,5-tetrahydrobenz(cd)indole-6-carboxamide
N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,5,6-trimethyl-2-benzofurancarboxamide
C16H17N3O3 (299.12698520000004)
(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
2-[[6-Amino-2-[3-(dimethylamino)propylamino]-5-nitro-4-pyrimidinyl]amino]ethanol
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4,6-dimethyl-2-pyrimidinyl)guanidine
1-Cyclohexyl-3-[(1,2-dimethyl-5-indolyl)methyl]urea
N-(2-((4-Methoxybenzyl)(2-pyridinyl)amino)ethyl)-N-methylformamide
2-(beta-Dimethylaminopropionyl)-5,7-dimethyl-1,2,3,4-tetrahydropyrimido(3,4-a)indole
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
N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide
2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
[(1S,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl 2,3-dihydroxy-2-(propan-2-yl)butanoate
all-trans-Retinoate
A retinoate that is the conjugate base of all-trans-retinoic acid.
fumigaclavine A(1+)
C18H23N2O2+ (299.17594379999997)
An ammonium ion obtained by the protonation of the tertiary amino group of fumigaclavine A; major species at pH 7.3.
3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
trimethyl-[2-(4-phosphonooxy-1H-indol-3-yl)ethyl]azanium
C13H20N2O4P+ (299.11606300000005)
(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine
C18H23N2O2+ (299.17594379999997)
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
(2S)-5-oxo-5-[[(3S)-2-oxopiperidin-3-yl]amino]-2-(propanoylamino)pentanoic acid
(2S)-2-[[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]amino]pentanedioic acid
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.
9-cis-Retinoate
A retinoate that is the conjugate base of 9-cis-retinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
1-(4-Tert-butylphenyl)-3-(3-pyridinylmethyl)thiourea
C17H21N3S (299.14561060000005)
11-cis-Retinoate
A retinoate that is the conjugate base of 11-cis-retinoic acid, obtaained by deprotonation of the carboxy group; major species at pH 7.3.
[2-[benzyl(methyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
C17H17NO4 (299.11575220000003)
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
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
(2R)-1-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenoxy)acetamide
C17H17NO4 (299.11575220000003)
2,5-Dimethyl-3-furancarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
C17H17NO4 (299.11575220000003)
N-(1-butyl-2-benzimidazolyl)cyclohexanecarboxamide
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)
Diethyl 2-(2-methylpropylamino)thiophene-3,4-dicarboxylate
3-(2-methylphenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
1-[2-(diethylamino)ethyl]-5,6-dimethyl-1H-pyrrolo[1,2,3-de]quinoxalin-2(3H)-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
1-[4-[4-(2-Furanylmethylamino)phenyl]-1-piperazinyl]ethanone
2-(4-Dimethylaminophenyl)-3-(2-pyridyl)thiazolidin-4-one
Methyl 4-[[2-(pyridin-4-ylmethylamino)acetyl]amino]benzoate
C16H17N3O3 (299.12698520000004)
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
3-(Diethylamino)-1-(4-fluorophenyl)-2-phenyl-1-propanone
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
(3R,6S)-3-butan-2-yl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
2-Aminoethyl (3-hexoxy-2-hydroxypropyl) hydrogen phosphate
(2-Hydroxy-3-propoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Propanoic acid, 2-[(1-cyclohexylethyl)carbamoyl]-, trimethylsilyl ester
[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].
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
CID 443409
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
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
Diphthine
A quaternary ammonium ion consisting of L-histidine with a 3-(trimethylammonio)-3-carboxypropyl group at the 2-position of the the imidazole ring.
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
BTCP HCl
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
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.
Dehydroabietate
A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.
U93631
U93631 is a GABAA receptor ligand of novel chemical structure with IC50 of 100 nM,and has been shown to induce a rapid, time-dependent decay of GABA-induced whole-cell Cl-currents in recombinant GABAA receptors. target: GABAA receptor IC 50: GABAA receptor[1] In vitro: In the presence of U93631 at 5 UM, the peak amplitude decreased as a function of GABA concentration, with the half-maximal inhibitory concentration being approximately 100 nM, which is close to the Kd for the high affinity GABA site(85 nM). It appears that the drug interacts with GABA-bound receptors (at least monoliganded) and accelerates receptor desensitization, rather than acting as an open channel blocker. [1]