Exact Mass: 267.1475
Exact Mass Matches: 267.1475
Found 382 metabolites which its exact mass value is equals to given mass value 267.1475,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Metoprolol
Metoprolol is a selective beta1 receptor blocker used in treatment of several diseases of the cardiovascular system. It is marketed under the brand name Lopressor by Novartis, and Toprol (in the USA); Seleken or Selokeen (elsewhere); A selective adrenergic beta-1-blocking agent with no stimulatory action. Its binding to plasma albumin is weaker than alprenolol and it may be useful in the treatment of several diseases of the cardiovascular system; Metoprolol is a selective beta1 receptor blocker used in treatment of several diseases of the cardiovascular system. It is marketed under the brand name Lopressor by Novartis, and Toprol (in the USA); Seleken or Selokeen (elsewhere); as Minax by Alphapharm (in Australia), as Betaloc by AstraZeneca and as Corvitol by Berlin-Chemie AG; A selective adrenergic beta-1-blocking agent with no stimulatory action. Its binding to plasma albumin is weaker than alprenolol and it may be useful in angina pectoris, hypertension, or cardiac arrhythmias; as Minax by Alphapharm (in Australia), as Betaloc by AstraZeneca and as Corvitol by Berlin-Chemie AG. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Metoprolol is an orally active, selective β1-adrenoceptor antagonist. Metoprolol shows anti-inflammation, antitumor and anti-angiogenic properties[1][2][3].
L-Agaritine
L-Agaritine is found in mushrooms. L-Agaritine is a constituent of some members of the family Agaricaceae, notably Agaricus bisporus (button mushroom). Constituent of some members of the family Agaricaceae, notably Agaricus bisporus (button mushroom). L-Agaritine is found in mushrooms.
Prinomide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Voglibose
Voglibose is only found in individuals that have used or taken this drug. Voglibose (INN and USAN) is an alpha-glucosidase inhibitor used for lowering post-prandial blood glucose levels in people with diabetes mellitus. It is made in India by Ranbaxy Labs and sold under the trade name Volix. [Wikipedia]Alpha-glucosidase inhibitors are saccharides that act as competitive inhibitors of enzymes needed to digest carbohydrates: specifically alpha-glucosidase enzymes in the brush border of the small intestines. The membrane-bound intestinal alpha-glucosidases hydrolyze oligosaccharides, trisaccharides, and disaccharides to glucose and other monosaccharides in the small intestine. Acarbose also blocks pancreatic alpha-amylase in addition to inhibiting membrane-bound alpha-glucosidases. Pancreatic alpha-amylase hydrolyzes complex starches to oligosaccharides in the lumen of the small intestine. Inhibition of these enzyme systems reduces the rate of digestion of complex carbohydrates. Less glucose is absorbed because the carbohydrates are not broken down into glucose molecules. In diabetic patients, the short-term effect of these drugs therapies is to decrease current blood glucose levels: the long term effect is a small reduction in hemoglobin-A1c level. (From Drug Therapy in Nursing, 2nd ed) Voglibose is an organic molecular entity. Voglibose is an alpha-glucosidase inhibitor used for lowering post-prandial blood glucose levels in people with diabetes mellitus. It is made in India by Ranbaxy Labs and sold under the trade name Volix. Voglibose is a valiolamine derivative and inhibitor of alpha-glucosidase with antihyperglycemic activity. Voglibose binds to and inhibits alpha-glucosidase, an enteric enzyme found in the brush border of the small intestines that hydrolyzes oligosaccharides and disaccharides into glucose and other monosaccharides. This prevents the breakdown of larger carbohydrates into glucose and decreases the rise in postprandial blood glucose levels. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BF - Alpha glucosidase inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors C471 - Enzyme Inhibitor > C2846 - Glucosidase Inhibitor D004791 - Enzyme Inhibitors Voglibose is a derivative of valiolamine, which can inhibit α-glucosidase very well and can act on hyperglycemia.
Apomorphine
A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. [PubChem] G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D005765 - Gastrointestinal Agents > D004639 - Emetics D002491 - Central Nervous System Agents
4-amino-MX
4-amino-MX (AMX) is a metabolite of musk xylene. Musk xylene was the most widely used of the nitro-musks, a type of synthetic musk fragrance, which mimic natural musk. It has been used as a perfume fixative in a wide variety of consumer products, and is still used in some cosmetics and fragrances. Use of musk xylene has declined sharply since the mid-1980s due to safety and environmental concerns. (Wikipedia)
Desacetylmetipranolol
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, diethyl ester
Azacyclonol
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Azacyclonol (γ-pipradol), a metabolite of Terfenadine, is a central depressant agent. Azacyclonol is a ganglion-blocking agent. Azacyclonol can be used to diminish psychoses-induced hallucinations[1][2][3].
Butaxamine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites D007004 - Hypoglycemic Agents
Carbuterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Lysergic acid amide
S-(+)-apomorphine
Diethyl 2,3,4-trimethyl-2,3-dihydropyridine-5,6-dicarboxylate
O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate
VX nerve agent, also known as VX, belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen. Based on a literature review a significant number of articles have been published on VX nerve agent. This compound has been identified in human blood as reported by (PMID: 31557052 ). O-ethyl s-(2-diisopropylaminoethyl) methylphosphonothioate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. VX is an extremely toxic synthetic chemical compound in the organophosphorus class, specifically, a thiophosphonate. In the class of nerve agents, it was developed for military use in chemical warfare after translation of earlier discoveries of organophosphate toxicity in pesticide research. In its pure form, VX is an oily, relatively non-volatile liquid that is amber-like in colour.[4] Because of its low volatility, VX persists in environments where it is dispersed.[5][6] VX, short for "venomous agent X",[7] is one of the best known of the V nerve agents and originated from pesticide development work at Imperial Chemical Industries (ICI). It was developed further at Porton Down in England during the early 1950s,[8] based on research first done by Gerhard Schrader, a chemist working for IG Farben in Germany during the 1930s.[citation needed] It is now one of a broader V-series of agents which are classified as nerve agents. VX has been allegedly used in warfare and has been used in several assassinations. The brother of North Korean leader Kim Jong Un, Kim Jong Nam, had the substance thrown in his face in Kuala Lumpur International Airport on the 13th February 2017 by two women. He died being rushed to hospital approximately 15 minutes later. The substance is extremely deadly; VX fatalities occur with exposure to tens of milligram quantities via inhalation or absorption through skin; VX is more potent than sarin, another nerve agent with a similar mechanism of action. On such exposure, these agents severely disrupt the body's signaling between the nervous and muscular systems, leading to a prolonged neuromuscular blockade, flaccid paralysis of all the muscles in the body including the diaphragm, and death by asphyxiation.[9] The danger of VX, in particular, lies in direct exposure to the chemical agent persisting where it was dispersed, and not through its evaporating and being distributed as a vapor; it is not considered a vapor hazard due to its relative non-volatility. VX is considered an area denial weapon due to these physical and biochemical characteristics.[10] As a chemical weapon, it is categorized as a weapon of mass destruction by the United Nations and is banned by the Chemical Weapons Convention of 1993,[11] where production and stockpiling of VX exceeding 100 grams (3.53 oz) per year is outlawed. The only exception is for "research, medical or pharmaceutical purposes outside a single small-scale facility in aggregate quantities not exceeding 10 kg (22 lb) per year per facility".[12]
Diethyl 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarboxylate
Asimilobine
Asimilobine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Asimilobine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Asimilobine can be found in cherimoya and custard apple, which makes asimilobine a potential biomarker for the consumption of these food products. Asimilobine is an inhibitor of dopamine biosynthesis, and a serotonergic receptor antagonist .
cinnamoyltyramine
Cinnamoyltyramine is a member of the class of compounds known as cinnamic acid amides. Cinnamic acid amides are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Cinnamoyltyramine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cinnamoyltyramine can be found in a number of food items such as babassu palm, savoy cabbage, dill, and quinoa, which makes cinnamoyltyramine a potential biomarker for the consumption of these food products.
metoprolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 172 Metoprolol is an orally active, selective β1-adrenoceptor antagonist. Metoprolol shows anti-inflammation, antitumor and anti-angiogenic properties[1][2][3].
Azacyclonol
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Azacyclonol (γ-pipradol), a metabolite of Terfenadine, is a central depressant agent. Azacyclonol is a ganglion-blocking agent. Azacyclonol can be used to diminish psychoses-induced hallucinations[1][2][3].
methyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate
Asimilobine
R-(-)-asimilobine is an aporphine alkaloid. It has a role as a metabolite. Asimilobine is a natural product found in Meiogyne monosperma, Phoebe formosana, and other organisms with data available. A natural product found in Annona glabra.
Brevicarine
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
N-(2-phenylethyl)-4-hydroxycinnamamide|p-coumaroyl-beta-phenethylamine
(2E,4E,6E,12Z)-2-Methylpropylamide-2,4,6,12-Tetradecatetraene-8,10-diynoic acid
3-[(5E)-5-methyl-4-oxo-2-hydroxy-5-octenyl]glutarimide
2-acetyl-4-<2-(methoxycarbonyl)ethyl>-3-<(methoxycarbonyl)methyl>pyrrole|3-(5-acetyl-4-methoxycarbonylmethyl-1H-pyrrol-3-yl)-propionic acid methyl ester|monascuspyrrole
7-amino-8-hydroxy-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one|7-Amino-8-hydroxy-nitrazepam
2,3-Epoxy-6,8-nonadiynoic acid phenethylamide|2-phenylethylamide-2,3-Epoxy-6,8-nonadiynoic acid|epoxy-nona-6,8-diynoic acid 2-phenylethylamide|nona-6,8-diyn-2,3-epoxy-1-oic acid phenylethylamine
(S)-N-trans-cinnamoyl-beta-hydroxy phenylethylamine
3-methyl-2-(2-pentylidene-cyclopropyl)-1H-quinolin-4-one
5,6,7,8-Tetramethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Based on the structure of 10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol, we can speculate about its possible biological functions: Antioxidant Properties: The presence of hydroxyl (-OH) and methoxy (-OCH3) groups suggests that the compound might have antioxidant properties, capable of scavenging free radicals and protecting cells from oxidative stress. Anti-inflammatory Effects: Compounds with similar structures have been known to exhibit anti-inflammatory effects by inhibiting certain enzymes or pathways involved in the inflammatory response. Neuroprotective Activity: Given its structural similarity to certain alkaloids, it might have neuroprotective properties, potentially protecting neurons from damage caused by various neurotoxic agents. Antimicrobial Activity: The complex structure of the compound suggests that it might have antimicrobial properties, inhibiting the growth of certain bacteria or fungi. Central Nervous System (CNS) Activity: Compounds with similar structural features have been reported to have effects on the central nervous system, possibly acting as sedatives, anxiolytics, or antidepressants. Enzyme Inhibition: The compound might act as an inhibitor for certain enzymes, which could be relevant in various therapeutic contexts, such as cancer treatment or metabolic disorders. Ion Channel Modulation: It could potentially modulate ion channels, affecting cellular electrical activity, which could be relevant in conditions like epilepsy or cardiac arrhythmias.
5-Amino-2,6-dimethyl-6-hydroxy-4-(2-methylbutyryl)-3-methoxy-2,4-cyclohexadien-1-one
(E,E,E)-Pyrrolidide-2,4,12-Tetradecatriene-8,10-diynoic aci|tetradeca-2E,4E,12E-trien-8,10-diynoic acid pyrrolidide
3-Deoxy-3-methylaminoxylose-beta-D-Furanose-form-Me glycoside, 5-benzyl|3-Deoxy-3-methylaminoxylose-Me glycoside, 5-benzyl
1,1-Dimethyl-2-[1-(hydroxymethyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
metoprolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Metoprolol is a selective beta1 receptor blocker used in treatment of several diseases of the cardiovascular system. It is marketed under the brand name Lopressor by Novartis, and Toprol (in the USA); Seleken or Selokeen (elsewhere); A selective adrenergic beta-1-blocking agent with no stimulatory action. Its binding to plasma albumin is weaker than alprenolol and it may be useful in the treatment of several diseases of the cardiovascular system; Metoprolol is a selective beta1 receptor blocker used in treatment of several diseases of the cardiovascular system. It is marketed under the brand name Lopressor by Novartis, and Toprol (in the USA); Seleken or Selokeen (elsewhere); as Minax by Alphapharm (in Australia), as Betaloc by AstraZeneca and as Corvitol by Berlin-Chemie AG; A selective adrenergic beta-1-blocking agent with no stimulatory action. Its binding to plasma albumin is weaker than alprenolol and it may be useful in angina pectoris, hypertension, or cardiac arrhythmias; as Minax by Alphapharm (in Australia), as Betaloc by AstraZeneca and as Corvitol by Berlin-Chemie AG. [HMDB] CONFIDENCE standard compound; INTERNAL_ID 1107 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 81 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1080 CONFIDENCE standard compound; INTERNAL_ID 4072 CONFIDENCE Reference Standard (Level 1) Metoprolol is an orally active, selective β1-adrenoceptor antagonist. Metoprolol shows anti-inflammation, antitumor and anti-angiogenic properties[1][2][3].
Atenolol acid
A monocarboxylic acid that is phenylacetic acid substituted by a 2-hydroxy-3-(propan-2-ylamino)propoxy group at position 4. It is a metabolite of the drug atenolol. CONFIDENCE standard compound; INTERNAL_ID 2025 CONFIDENCE standard compound; EAWAG_UCHEM_ID 697 EAWAG_UCHEM_ID 697; CONFIDENCE standard compound
Apomorphine
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D005765 - Gastrointestinal Agents > D004639 - Emetics D002491 - Central Nervous System Agents CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2773; ORIGINAL_PRECURSOR_SCAN_NO 2770 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2742; ORIGINAL_PRECURSOR_SCAN_NO 2740 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2770; ORIGINAL_PRECURSOR_SCAN_NO 2767 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2761; ORIGINAL_PRECURSOR_SCAN_NO 2760 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2765; ORIGINAL_PRECURSOR_SCAN_NO 2764 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2768; ORIGINAL_PRECURSOR_SCAN_NO 2767 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5817; ORIGINAL_PRECURSOR_SCAN_NO 5813 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5827; ORIGINAL_PRECURSOR_SCAN_NO 5825 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5853; ORIGINAL_PRECURSOR_SCAN_NO 5851 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5859; ORIGINAL_PRECURSOR_SCAN_NO 5857 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5863; ORIGINAL_PRECURSOR_SCAN_NO 5861 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5858; ORIGINAL_PRECURSOR_SCAN_NO 5856 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2542; CONFIDENCE confident structure
6,7-Dimethoxy-1-phenyl-3,4-dihydro-isoquinoline
(R)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
Voglibose
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BF - Alpha glucosidase inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors C471 - Enzyme Inhibitor > C2846 - Glucosidase Inhibitor D004791 - Enzyme Inhibitors Voglibose is a derivative of valiolamine, which can inhibit α-glucosidase very well and can act on hyperglycemia.
butyl prop-2-enoate,2-methylprop-2-enoic acid,prop-2-enenitrile
3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide
5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
2-Benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
tert-Butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate
Boronic acid, B-[3-fluoro-4-[3-(1-pyrrolidinyl)propoxy]phenyl]
Dexfenfluramine hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
1-benzo[b][1]benzothiepin-5-yl-N,N-dimethylmethanamine
1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline
3-(4-AMINO-PIPERIDIN-1-YL)-1-(6-CHLORO-PYRIDIN-3-YL)-PROPAN-1-ONE
1-(4-Chlorophenyl)-2-methyl-2-morpholinopropan-1-one
2-Isopropyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole
benzyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
2-(2-AMINOPHENYL)-5-(3-METHOXYPHENYL)-1,3,4-OXADIAZOLE
3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLICACID4-TERT-BUTYLESTER2-ETHYLESTER
5,7-Dihydro-2-(methylthio)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester
(1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate
(3R)-3-Benzyl-7a-(difluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one
Urea, N-[4-(methylthio)phenyl]-N-4-morpholinyl- (9CI)
(2-HYDROXY-[1,1-BIPHENYL]-3-YL)(PYRROLIDIN-1-YL)METHANONE
(S)-5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine)
2-METHYL-2-(4-((PHENYLTHIO)METHYL)PHENYL)PROPANENITRILE
(3S,4S)-3,4-BIS[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]-1-(PHENYLMETHYL)-PYRROLIDINE
tert-butyl 3-(3-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
4-Hydroxy-4-(1H-imidazol-4-yl)piperidine-1-carboxylic acid tert-butyl ester
2,3-DIHYDROSPIRO[INDENE-1,4-PIPERIDINE]-3-CARBOXYLIC ACID HYDROCHLORIDE
(2E)-3-[4-(Dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
BENZYL (3R)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLATE
6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
2-tert-Butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
vx.
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D004791 - Enzyme Inhibitors
TERT-BUTYL 5-(ETHOXYCARBONYL)PYRAZIN-2-YLCARBAMATE
3-BENZYL-1-CYCLOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
tert-butyl 4-(1,2,4-triazol-1-ylmethyl)piperazine-1-carboxylate
Dihydrexidine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
1-BENZYL-4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE
ethyl 3-cyano-3-(4-hydroxypiperidin-1-yl)pyrrolidine-1-carboxylate
tert-Butyl 4-(5-aminoisoxazol-3-yl)piperidine-1-carboxylate
Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate
3-(5-AMINO-ISOXAZOL-3-YL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-chloro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
fenfluramine hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators
tert-butyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
4-(4-NITRO-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
1-[(2-fluorophenyl)methyl]-2-methylindole-3-carbaldehyde
[2-HYDROXY-2-(4-METHOXY-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
(2R)-2-[(Methoxycarbonyl)amino]-4-(4-methoxyphenyl)butanoic acid
2-Benzyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
(R)-N-[2,3-DIHYDRO-1-[2-(2-METHYLPHENYL)-2-OXOETHYL]-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL]-N-(3-METHYLPHENYL)-UREA
4-(2-Benzamido-3-(dipropylamino)-3-oxopropyl)phenyl benzoate
7-(1-Pyrrolidinylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
2-(5-AMINO-ISOXAZOL-3-YL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(2-Fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-fluoro-2-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLICACID BENZYL ESTER HYDROCHLORIDE
butyl prop-2-enoate,ethenyl acetate,prop-2-enenitrile
Carbamic acid,(3-pyridinylmethylene)bis-, diethyl ester (9CI)
(2R,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate
N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine
N-cyclopentyl-2-methyl-5-(3-methylphenyl)pyrimidin-4-amine
4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
ethyl 4-acetyl-5-(acetyloxymethyl)-3-methyl-1H-pyrrole-2-carboxylate
4-(diethylaminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
2-(2-HYDROXYETHYL)-3-METHYL-1-OXO-1,5-DIHYDROPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE
7-Boc-5,6-dihydro-8H-imidazo[1,2-a]pyrazine-2-carboxylic acid
(4-Boc-1-piperazinium-1-ylmethyl)trifluoroborate internal salt
2-[Benzyl(methyl)amino]-1-(4-methylphenyl)-1-propanone
Benzooxazol-2-yl-Methyl-piperidin-3-yl-aMine hydrochloride
(3S,4S)-TERT-BUTYL4-(FURAN-3-YL)-3-HYDROXYPIPERIDINE-1-CARBOXYLATE
1-(1-Adamantyl)-5-methyl-1,2,3,6-tetrahydropyridine hydrochloride
N-(methoxymethyl)-1-(4-methoxyphenyl)-N-(trimethylsilylmethyl)methanamine
3-ETHOXYCARBONYLAMINO-3-(4-METHOXY-PHENYL)-PROPIONIC ACID
2-(2-fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,4-Benzenediamine,N4-[[4-(dimethylamino)phenyl]methylene]-N1,N1-dimethyl-
5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydro-1H-Pyrazolo[4,3-C]Pyridine-3-Carboxylic Acid
L(+)-2-AMINO-6-(O,O-DIETHYLPHOSPHONO)HEXANOIC ACID
N-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
DIETHYL 2-([(1-METHYL-1H-PYRAZOL-5-YL)AMINO]METHYLENE)MALONATE
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone
N-(2-phenyl-3-imidazo[1,2-a]pyridinyl)carbamic acid methyl ester
(2E)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(pyridin-4-yl)propanal
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-phenyl-
3-Hydroxy-4-hydroxymethyl-1-(4-oxo-4,4A,5,7A-tetrahydro-3H-pyrrolo[3,2-D]pyrimidin-7-ylmethyl)-pyrrolidinium
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
(2R)-2-[(1S,4R,4aS)-7-hydroperoxy-4,7-dimethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoate
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylazanium
(2S)-2-azaniumyl-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoate
1-Cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
6-[(4-Methoxyphenyl)methyl]-3-methyl-5,6,7,8-tetrahydroquinoline
N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine
2-(2-Ethoxyphenyl)-5,6-dimethyl-1,3-dihydroisoindole
3-(1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl)pyridine
(2E,3E)-4-[4-(benzyloxy)phenyl]-N-hydroxybut-3-en-2-imine
5,7-dimethyl-3-phenyldiazenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
4-(Methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile
N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-aminium chloride
1-Methyl-2-[(4-methyl-1-piperidinyl)methyl]-3-indolecarbonitrile
(E,2E)-N-(1,2,4-Triazol-4-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate
N-[(E)-2,3-Dihydroinden-1-ylideneamino]-2-nitroaniline
N-[(E)-1-Cyclopropylethylideneamino]-2-pyrrol-1-ylbenzamide
(S)-3-(indol-3-ylmethyl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one
2-methoxy-N-[(1-methyl-2-benzimidazolyl)methyl]aniline
(5-Methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
[methyl-[[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]amino]-oxidoazanium
3-[[(2-Isopropoxyphenyloxy)carbonyl]amino]propanoic acid
[Methyl-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]amino]-oxidoazanium
[methyl-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]amino]-oxidoazanium
2-(3-Methylpentan-2-ylamino)-6-methylsulanylbenzoic acid
N-Hydroxy-3,4-(methylenedioxy)amphetamine, TMS derivative
2-Butoxy-3-pyridinecarboxylic acid trimethylsilyl ester
5-Cyano-4,4,7,7-tetramethoxy-3-methyl-2,5-cycloheptadien-1-one
Yellow pyoctanine
D000890 - Anti-Infective Agents D004396 - Coloring Agents D004202 - Disinfectants
LYSERGAMIDE
An ergoline alkaloid comprising ergoline lacking hydrogens at positions 9 and 10 and also having a methyl group attached to the piperidine nitrogen.
Carbuterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate
6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Prinomide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
N-trans-cinnamoyltyramine
A member of the class of cinnamamides that is tyramine substituted by a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at the nitrogen atom. It is found in rice and exhibits an allelopathic effect to suppress the growth of weeds.
IMM-01
IMM-01 is a mammalian Diaphanous (mDia)-related formins agonist that inhibits DID-DAD (diaphanous inhibitory domain-diaphanous autoregulatory domain) binding with an IC50 of 140 nM. IMM-01 acts by disrupting the autoinhibitory bond between the DID and DAD domain and thus activates formins. IMM-01 shows anticancer effects[1].
6-hydroxy-1-(5-hydroxyhex-1-en-1-yl)-8-methyl-1h,5h,6h,8ah-[1,3]oxazolo[3,4-a]pyridin-3-one
15-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-16-ol
2,4-dihydroxy-n-(2-methoxy-2-oxoethyl)-3,5,6-trimethylbenzenecarboximidic acid
(4s,7r)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-5-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indole
methyl (4as,7as)-2-(2-hydroxyethyl)-7-(hydroxymethyl)-1-oxo-4ah,5h,7ah-cyclopenta[c]pyridine-4-carboxylate
6,7-dihydroxy-1,1-dimethyl-n-(2'-glyceryl)-1,2,3,4-tetrahydroisoquinoline
{"Ingredient_id": "HBIN012059","Ingredient_name": "6,7-dihydroxy-1,1-dimethyl-n-(2'-glyceryl)-1,2,3,4-tetrahydroisoquinoline","Alias": "NA","Ingredient_formula": "C14H21NO4","Ingredient_Smile": "CC1(C2=CC(=C(C=C2CCN1C(CO)CO)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5854","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
