Exact Mass: 254.1283038
Exact Mass Matches: 254.1283038
Found 500 metabolites which its exact mass value is equals to given mass value 254.1283038,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ketoprofen
Ketoprofen is only found in individuals that have used or taken this drug. It is a propionic acid derivative and is a nonsteroidal anti-inflammatory agent (NSAIA) with analgesic and antipyretic properties. The anti-inflammatory effects of ketoprofen are believed to be due to inhibition cylooxygenase-2 (COX-2), an enzyme involved in prostaglandin synthesis via the arachidonic acid pathway. This results in decreased levels of prostaglandins that mediate pain, fever and inflammation. Ketoprofen is a non-specific cyclooxygenase inhibitor and inhibition of COX-1 is thought to confer some of its side effects, such as GI upset and ulceration. Ketoprofen is thought to have anti-bradykinin activity, as well as lysosomal membrane-stabilizing action. Antipyretic effects may be due to action on the hypothalamus, resulting in an increased peripheral blood flow, vasodilation, and subsequent heat dissipation. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 205 CONFIDENCE standard compound; INTERNAL_ID 1150 CONFIDENCE standard compound; INTERNAL_ID 4086 CONFIDENCE standard compound; INTERNAL_ID 8562 D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Dyphylline
Dyphylline is only found in individuals that have used or taken this drug. It is a theophylline derivative with broncho- and vasodilator properties. It is used in the treatment of asthma, cardiac dyspnea, and bronchitis. [PubChem]The bronchodilatory action of dyphylline, as with other xanthines, is thought to be mediated through competitive inhibition of phosphodiesterase with a resulting increase in cyclic AMP producing relaxation of bronchial smooth muscle as well as antagonism of adenosine receptors. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor KEIO_ID D183; [MS2] KO008931 KEIO_ID D183 Diphylline (Diprophylline) is a potent A1/A2 adenosine receptor antagonist and cyclic nucleotide phosphodiesterase inhibitor. Diphylline, a xanthine derivative, is a bronchodilator and vasodilator agent and has the potential for chronic bronchitis and emphysema[1][2]. Diphylline (Diprophylline) is a potent A1/A2 adenosine receptor antagonist and cyclic nucleotide phosphodiesterase inhibitor. Diphylline, a xanthine derivative, is a bronchodilator and vasodilator agent and has the potential for chronic bronchitis and emphysema[1][2].
10-Hydroxycarbazepine
10-Hydroxycarbazepine is a metabolite of oxcarbazepine. Oxcarbazepine (ox-kar-BAY-zih-peen) is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy. It is also used to treat anxiety and mood disorders, and benign motor tics. Oxcarbazepine is marketed as Trileptal by Novartis and available in some countries as a generic drug. (Wikipedia) C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent CONFIDENCE standard compound; INTERNAL_ID 2282
Chalepensin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Galactosylglycerol
Galactosylglycerol is an intermediate in galactose and glycerolipid metabolism (KEGG: C05401). In galactose metabolism, galactosylglycerol is reversibly produced from D-galactose and glycerol by the enzyme alpha-galactosidase [EC:3.2.1.22]. It is also the first to last step in the synthesis of glycerol and is converted from 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol. It is then converted to glycerol via the enzyme beta-galactosidase [EC:3.2.1.23]. [HMDB] Galactosylglycerol is an intermediate in galactose and glycerolipid metabolism (KEGG: C05401). In galactose metabolism, galactosylglycerol is reversibly produced from D-galactose and glycerol by the enzyme alpha-galactosidase [EC:3.2.1.22]. It is also the first to last step in the synthesis of glycerol and is converted from 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol. It is then converted to glycerol via the enzyme beta-galactosidase [EC:3.2.1.23].
Thiamylal
Thiamylal is only found in individuals that have used or taken this drug. It is a barbiturate that is administered intravenously for the production of complete anesthesia of short duration, for the induction of general anesthesia, or for inducing a hypnotic state. (From Martindale, The Extra Pharmacopoeia, 30th ed, p919)Thiamylal binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Midodrine
Midodrine is only found in individuals that have used or taken this drug. It is an ethanolamine derivative that is an adrenergic alpha agonist. It is used as a vasoconstrictor agent in the treatment of hypotension. [PubChem]Midodrine forms an active metabolite, desglymidodrine, that is an alpha1-agonist, and exerts its actions via activation of the alpha-adrenergic receptors of the arteriolar and venous vasculature, producing an increase in vascular tone and elevation of blood pressure. Desglymidodrine does not stimulate cardiac beta-adrenergic receptors. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Midodrine is an α1-receptor agonist, for the treatment of dysautonomia and orthostatic hypotension.
Chanoclavine-I aldehyde
An enal resulting from the oxidation of the primary alcohol group of chanoclavine-I to the corresponding aldehyde.
1-(2-hydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one
(+)-Setoclavine
(+)-Setoclavine is found in cereals and cereal products. (+)-Setoclavine is an alkaloid from ergot found on Pennisetum typhoideum (pearl millet). Alkaloid from ergot found on Pennisetum typhoideum (pearl millet). (+)-Setoclavine is found in cereals and cereal products.
Homoanserine
Homoanserine (N-(4-Aminobutyryl)-L-histidine) is a dipeptide identified in the brain and muscles of mammals. (PMID 3780724, 6078589) It has been found that homoanserine is not merely deposited in skeletal muscles but that is actively synthesized by muscle cells in culture. (PMID 8307008) [HMDB] Homoanserine (N-(4-Aminobutyryl)-L-histidine) is a dipeptide identified in the brain and muscles of mammals. (PMID 3780724, 6078589) It has been found that homoanserine is not merely deposited in skeletal muscles but that is actively synthesized by muscle cells in culture. (PMID 8307008).
L-Furosine
L-Furosine is an analytical indicator of heat treatment damage or storage deterioriation in milk, dried foods, pasta, tomato paste and eggs. Acid hydrolysis product of the Amadori compoun
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
3,6-Dimethoxy-4-phenanthrenol
3,6-Dimethoxy-4-phenanthrenol is found in opium poppy. 3,6-Dimethoxy-4-phenanthrenol is found in opiu
L-Pyridosine
L-Pyridosine is found in milk and milk products. Acid hydrolysis product of heated milk. Marker for heat treatment of milk and other foodstuff
2,6-Dimethoxy-4-phenanthrenol
2,6-Dimethoxy-4-phenanthrenol is found in poppy seeds, opium poppy and opium extracts. Found in opium extracts
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate is a constituent of the famine food Pandanus odoratissimus. Constituent of the famine food Pandanus odoratissimus.
Valylhistidine
Valylhistidine is a dipeptide composed of valine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Histidylvaline
Histidylvaline is a dipeptide composed of histidine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Nepafenac
Nepafenac is only found in individuals that have used or taken this drug. It is a non-steroidal anti-inflammatory prodrug (NSAID) usually sold as a prescription eye drop. It is used to treat pain and inflammation associated with cataract surgery.After penetrating the cornea as a prodrug, nepafenac undergoes rapid bioactivation to amfenac, which is a potent NSAID that uniformly inhibits the COX1 and COX2 activity. S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Isoeugenol benzyl ether
Isoeugenol benzyl ether is a flavouring ingredien Flavouring ingredient
Isoeugenyl benzyl ether
Isoeugenyl benzyl ether is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Pyrraline
Pyrraline is Maillard produced, obtained by reaction between
4-[(2-Methyl-3-furanyl)thio]-5-nonanone
4-[(2-Methyl-3-furanyl)thio]-5-nonanone is a flavouring ingredient. Flavouring ingredient
2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone
2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone is a flavouring ingredient. Flavouring ingredient
(S)-Argpyrimidine
(S)-Argpyrimidine is found in alcoholic beverages. (S)-Argpyrimidine is found in beer.
Aldosine
Aldosine is found in animal foods. Aldosine is a hydrolysis product from the aldol crosslinks of bovine elastin and collagen. Hydrolysis product from the aldol crosslinks of bovine elastin and collagen. Aldosine is found in animal foods.
(2R)-1-O-beta-D-Galactopyranosylglycerol
(2R)-1-O-beta-D-Galactopyranosylglycerol is found in cereals and cereal products. (2R)-1-O-beta-D-Galactopyranosylglycerol is isolated from wheat flour lipids. Isolated from wheat flour lipids. (2R)-1-O-beta-D-Galactopyranosylglycerol is found in cereals and cereal products.
Dexketoprofen
Dexketoprofen belongs to a class of medicines called non-steroidal anti-inflammatory drugs (NSAIDs). It works by blocking the action of a substance in the body called cyclo-oxygenase. Cyclo-oxygenase is involved in the production of chemicals in the body called prostaglandins. Prostaglandins are produced in response to injury or certain diseases and would otherwise go on to cause swelling, inflammation and pain. By blocking cyclo-oxygenase, dexketoprofen prevents the production of prostaglandins and therefore reduces inflammation and pain. Along with Peripheral analgesic action it possesses central analgesic action. Dexketoprofen is a non-steroidal anti-inflammatory drug. It is manufactured by Menarini, under the tradename Keral. It is available in the UK, as dexketoprofen trometamol, as a prescription-only drug and in Latin America as Miracox, produced by Stein in Costa Rica. In Italy it is available as an over the counter-drug under the tradename Enantyum. In Lithuania it is available as over the counter-drug uder tradename Dolmen. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
(R)-MHD
(R)-MHD is a metabolite of oxcarbazepine. Oxcarbazepine (ox-kar-BAY-zih-peen) is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy. It is also used to treat anxiety and mood disorders, and benign motor tics. Oxcarbazepine is marketed as Trileptal by Novartis and available in some countries as a generic drug. (Wikipedia)
(S)-MHD
(S)-MHD is a metabolite of oxcarbazepine. Oxcarbazepine (ox-kar-BAY-zih-peen) is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy. It is also used to treat anxiety and mood disorders, and benign motor tics. Oxcarbazepine is marketed as Trileptal by Novartis and available in some countries as a generic drug. (Wikipedia)
4-(8-Amino-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)phenol
Cholanthrene
4,5-Dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Elymoclavine
Fenbufen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Isolysergol
Pimonidazole
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents
3,10a-Dihydrobenzo[a]pyrene
3-beta-D-galactosyl-sn-glycerol
3-beta-d-galactosyl-sn-glycerol is a member of the class of compounds known as glycosylglycerols. Glycosylglycerols are glycerolipids structurally characterized by the presence of one or more sugar residues attached to glycerol via a glycosidic linkage. 3-beta-d-galactosyl-sn-glycerol is soluble (in water) and a very weakly acidic compound (based on its pKa). 3-beta-d-galactosyl-sn-glycerol can be found in a number of food items such as skunk currant, european chestnut, oval-leaf huckleberry, and coriander, which makes 3-beta-d-galactosyl-sn-glycerol a potential biomarker for the consumption of these food products. 3-β-d-galactosyl-sn-glycerol is a member of the class of compounds known as glycosylglycerols. Glycosylglycerols are glycerolipids structurally characterized by the presence of one or more sugar residues attached to glycerol via a glycosidic linkage. 3-β-d-galactosyl-sn-glycerol is soluble (in water) and a very weakly acidic compound (based on its pKa). 3-β-d-galactosyl-sn-glycerol can be found in a number of food items such as skunk currant, european chestnut, oval-leaf huckleberry, and coriander, which makes 3-β-d-galactosyl-sn-glycerol a potential biomarker for the consumption of these food products.
4-Chloro-3,7(14)-chamigradien-9-ol
C15H23ClO (254.14373379999998)
2-(2-Hydroxy-4-methylphenyl)-3-(2-methylpropoxy)-1,2-propanediol
Aspergillide B
A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
(E)-5-[(3-Indolyl)methylene]-2-imino-1,3-dimethyl-4-imidazolidinone
N-methyl-N-[3-phenyl-3-(pyridin-2-yl)propyl]formamide
(6S,7S,11R)-2-chloro-3,7,11-trimethyl-10-methylidenespiro[5.5]undec-2-en-7-ol
C15H23ClO (254.14373379999998)
1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-2-methyl-1-butanone
erythro-(1,3Z,11E)-tridecatriene-7,9-diyne-5,6-diyl diacetate
4,5-dihydro4beta.5alpha-dihydrooxyoblongolide|oblongolide R
6alpha-acetyl-4beta,5beta-dimethyl-1(10)alpha-epoxy-2beta,7beta-dihydroxydecalin|laevinol G
3-[2-(1H-Indole-3-yl)-2-oxoethyl]-5,6-dihydropyridine-2(1H)-one
(10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.03,8]dec-4-en-7-yl)methyl acetate|trichocladinol A
(2R,4aS,5R,7aR,4R)-(-)-7a-methyl-botryodioxanenone
5-Deoxy-3-C-hydroxymethyllyxose,9CI-Benyzyl glycoside
(3E,9Z)-6-Hydroxy-7-chloro-pentadeca-3,9-dien-1-yne|12, 13-Dihydro-(3E, 6S, 7S, 9Z, 12Z)-7-Chloro-3, 9, 12-pentadecatrien-1-yn-6-ol
C15H23ClO (254.14373379999998)
Lysergol
An alkaloid of the ergoline family that occurs as a minor constituent in some species of fungi and in the morning glory family of plants. Its structure is that of ergoline with a methyl group at N-6 and a beta-hydroxymethyl substituent at C-8. 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 Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, Ergot alkaloids, Clavine alkaloid
(Z)-2-demethyl-3-N-methylaplysinopsin|(Z)-4-((1H-indol-3-yl)methylene)-1-methyl-2-(methylamino)-1H-imidazol-5(4H)-one
3-Hydroxy-4-methyl-6-(1-methyl-1,2-dihydroxyethyl)-4,4a,5,6,7,8-hexahydronaphthalene-2(3H)-one
(6S,13R)-6,13-dihydroxy-2E,4E,8E-tetradecatrienoic acid
19-nor-dasycarpidan-1-one|Des-N-methyl-dasycarpidon|des-N-Methyl-dasycarpon|N-Nordasycarpidone.
2-[2-Oxo-3-(3-oxobutyl)-4-methylcyclohexyl]propanoic acid
(2S,4R,4aR,5R,7aS,4R)-(+)-4-epi-methylbotryodioxanenone
1,2,3,3,4,4,5,5,6,6-Decahydro[2,3-bipyridine]-6,6-dicarboxylic acid
3-Methoxycarbonyl-5-propyl-2-furanpropionsaeure-methylester
Dehydrocrenatidine
Dehydrocrenatidine is a natural product found in Picrasma quassioides with data available.
6E,8E-Hexadecadien-10,12,14-triinsaeure-methylester|Me ester-(all-E)-6,8-Hexadecadiene-10,12,14-triynoic acid
2-isobutyryloxy-tridec-3E-ene-5,7,9,11-tetrayn-1-ol
C75
C75 is a synthetic fatty-acid synthase (FASN) inhibitor; inhibits prostate cancer cells PC3 with an IC50 of 35 μM[1][2][3]. C75 is a potent CPT1A activator[5].
PIMONIDAZOLE
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents
D-Isofloridoside
3-O-alpha-D-galactosyl-sn-glycerol is a isofloridoside in which position 2 of the glyceryl moiety has R configuration.
Nepafenac
S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one
(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
(3E,5E)-2-(4-methoxy-4-oxobutyl)nona-3,5-dienoic acid
NPE_255.1491_11.6
CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1); INTERNAL_ID 1106
NPE_255.1491_11.0
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1107
C14H22O4_(2E)-2-(Hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylic acid
C14H22O4_3-Hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyloctahydrocyclopropa[e]inden-2(1H)-one
3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one
(E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid
(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
Licarbazepine
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
Diprophylline
Diphylline (Diprophylline) is a potent A1/A2 adenosine receptor antagonist and cyclic nucleotide phosphodiesterase inhibitor. Diphylline, a xanthine derivative, is a bronchodilator and vasodilator agent and has the potential for chronic bronchitis and emphysema[1][2]. Diphylline (Diprophylline) is a potent A1/A2 adenosine receptor antagonist and cyclic nucleotide phosphodiesterase inhibitor. Diphylline, a xanthine derivative, is a bronchodilator and vasodilator agent and has the potential for chronic bronchitis and emphysema[1][2].
3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one_major
3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one_minor
(E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid_major
(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one_major
trans-C75
trans-C75 ((±)-C75) is an enantiomer of C75. C75 is a synthetic fatty-acid synthase (FASN) inhibitor.
methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate
His-val
A dipeptide formed from L-histidine and L-valine residues.
Val-his
A dipeptide formed from L-valine and L-histidine residues.
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate
Setoclavine
4,4,5,5-Tetramethyl-2-(naphthalen-1-yl)-1,3,2-dioxaborolane
C16H19BO2 (254.14780240000002)
3-HYDROXY-2-METHYL-1-PHENYL-3-P-TOLYL-PROPAN-1-ONE
2-chloro-N-(2-diethylaminoethyl)benzamide
C13H19ClN2O (254.11858339999998)
4-(((METHYL(PHENYL)AMINO)METHYLENE)AMINO)BENZOIC ACID
2-{[(2-METHYLPHENYL)(PHENYL)METHOXY]METHYL}OXIRANE
2-Propenal,3-phenyl-, 2-(1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)hydrazone
Phosphonic acid,P-(2,2-diethoxyethyl)-, diethyl ester
1-(3-ethoxy-3-oxopropyl)bicyclo[2.2.2]octane-4-carboxylic acid
1-[(4-ethylphenyl)sulfonyl]piperazine(SALTDATA: FREE)
1-[(3,4-dimethylphenyl)sulfonyl]piperazine(SALTDATA: FREE)
1-[(2,5-dimethylphenyl)sulfonyl]piperazine(SALTDATA: FREE)
(S)-Methyl 3-aMino-2-((tert-butoxycarbonyl)aMino)propanoate hydrochloride
C9H19ClN2O4 (254.10332839999998)
4-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Propyl beta-carboline-3-carboxylate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
Eslicarbazepine
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
1-(cyclopentylmethyl)piperidin-4-amine,dihydrochloride
C11H24Cl2N2 (254.13164439999997)
2-DEOXY-2,2-DIFLUORO-4,5-O-(1-METHYLETHYLIDENE)-L-ERYTHRO-PENTONIC ACID, ETHYL ESTER
C10H16F2O5 (254.09657499999997)
2-(2-(DIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C13H17BF2O2 (254.12895960000003)
tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]carbamate
C13H19FN2O2 (254.14304860000001)
1H-PYRROLE-2-CARBOXYLIC ACID, 4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-METHYL-, METHYL ESTER
4-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Tapinarof
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
DL-3-(3,4-Dimethoxyphenyl)-2-methyl-2-hydrazine propionic acid
(5r)-2,2,3-trimethyl-5-phenylmethyl-4-imidazolidinone monohydrochloride
C13H19ClN2O (254.11858339999998)
Decahydro-2,6-naphthalenedicarboxylic Acid Dimethyl Ester
3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER
5,6,7,8-tetradeuterio-2-methyl-3-(2-methylphenyl)quinazolin-4-one
C16H10D4N2O (254.13571611199998)
butyl prop-2-enoate,prop-2-enyl 2-methylprop-2-enoate
4-Piperidinamine,N,N-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2)
C14H23ClN2 (254.15496679999998)
1-(TERT-BUTYL)-5-(2,4,5-TRIFLUOROPHENYL)-1H-PYRAZOLE
C13H13F3N2 (254.10307740000002)
(4-BUTYL[1,1-BIPHENYL]-4-YL)BORONIC ACID
C16H19BO2 (254.14780240000002)
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
4-[(4-butylphenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
4-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
4-[(3-methylpiperidin-1-yl)sulfonyl]aniline(SALTDATA: FREE)
N-(5-OXO-1,2,3,5-TETRAHYDROINDOLIZIN-6-YL)BENZAMIDE
4-(piperidin-4-ylmethyl)benzamide hydrochloride
C13H19ClN2O (254.11858339999998)
5-acetyl-2-amino-6-methyl-4-phenyl-4h-pyran-3-carbonitrile
Benzamide,3-amino-N-(2,4-dimethylphenyl)-4-methyl-
(1R,4R)-4-((2-Fluoro-6-nitrophenyl)amino)cyclohexanol
C12H15FN2O3 (254.10666519999998)
ethyl 2-methyl-2-(2-methyl-4-sulfanyl-phenoxy)propanoate
4-fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline
C11H15FN4O2 (254.11789819999998)
TERT-BUTYL 2-(4-FLUOROBENZOYL)HYDRAZINECARBOXYLATE
C12H15FN2O3 (254.10666519999998)
1-Piperazinepropanol,4-(4-chlorophenyl)-
C13H19ClN2O (254.11858339999998)
1-[3-(2-CHLORO-PHENOXY)-PROPYL]-PIPERAZINE
C13H19ClN2O (254.11858339999998)
N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine
C12H15FN2O3 (254.10666519999998)
tert-butyl 3-methoxy-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
(1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
2-Amino-5-methylthiophene-3-carbonitrile
C13H19FN2O2 (254.14304860000001)
Benzene,2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-
2-(5-AMINO-[1,3,4]OXADIAZOL-2-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(4-(DIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C13H17BF2O2 (254.12895960000003)
Phosphonic acid,P-(3-phenyl-2-propen-1-yl)-, diethyl ester
tert-butyl 7,9-dioxo-2,6-diazaspiro[3.5]nonane-2-carboxylate
3-Trifluoromethyl-piperazine-1-carboxylic acid tert-butyl ester
tert-butyl 2-(trifluoromethyl)piperazine-1-carboxylate
3,4-DIFLUORO-2-METHYLPHENYL BORONIC ACID PINACOL ESTER
C13H17BF2O2 (254.12895960000003)
3-[[(1,1-Dimethylethoxy)carbonyl]amino]-D-alanine methyl ester
C9H19ClN2O4 (254.10332839999998)
2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
1-Chloro-2-fluoro-4-(trans-4-propylcyclohexyl)benzene
C15H20ClF (254.12374820000002)
2-Propenoic acid, 3-(4-aMinophenyl)-, 4-aMinophenyl ester, (2E)-
N-Cyclopropyl-4-(4-piperidinyl)-2-pyriMidinaMine hydrochloride
C12H19ClN4 (254.12981639999998)
(trans,trans)-[1,1-Bicyclohexyl]-4,4-dicarboxylic acid
2-(3-(difluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C13H17BF2O2 (254.12895960000003)
4-METHYL-1,4-BIPIPERIDINE DIHYDROCHLORIDE
C11H24Cl2N2 (254.13164439999997)
2-(6-methoxynaphthalen-2-yl)ethynyl-trimethylsilane
Ethyl (3R,S)-2,2-difluoro-3-hydroxy-3-(2,2-dimethyldioxolan-4-yl)propionate
C10H16F2O5 (254.09657499999997)
(5S)-2,2,3-TRIMETHYL-5-PHENYLMETHYL-4-IMIDAZOLIDINONEMONOHYDROCHLORIDE
C13H19ClN2O (254.11858339999998)
4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
4-(1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-ol
1-(CHROMAN-5-YL)PIPERAZINE HYDROCHLORIDE
C13H19ClN2O (254.11858339999998)
Naphthalene-2-boronic acid pinacol ester
C16H19BO2 (254.14780240000002)
6,8-dimethyl-2-pyrrolidin-1-ylquinoline-3-carbaldehyde
2-(3,5-dimethoxyphenyl)propan-2-yl N-aminocarbamate
2-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
C13H15FO4 (254.09543219999998)
6-FLUORO-3-(PIPERIDIN-4-YL)-1H-INDOLE HYDROCHLORIDE
Methyl 2-AMino-5-fluoro-4-Morpholinobenzoate
C12H15FN2O3 (254.10666519999998)
2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one
2-O-(beta-D-glucosyl)glycerol
A glucosylglycerol consisting of a beta-D-glucosyl residue attached at position 2 of glycerol via a glycosidic bond.
2-Amino-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
N-{4-[(2-hydroxybenzylidene)amino]phenyl}acetamide
Argpyrimidine
A member of the class of hydroxypyrimidines obtained by cyclocondensation of L-arginine and methylglyoxal; a methyl glyoxal-derived advanced glycation end-product (AGE) in familial amyloidotic polyneuropathy and human cancers.
2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylbutanenitrile
Trimethylsilyl 3,4-dimethoxybenzoate
C12H18O4Si (254.09743079999998)
Methyl 3-methoxy-4-[(trimethylsilyl)oxy]benzoate
C12H18O4Si (254.09743079999998)
N-Methyl-N-[3-phenyl-3-(2-pyridinyl)propyl]formamide
4-Chloro-N-[2-(diethylamino)ethyl]benzamide
C13H19ClN2O (254.11858339999998)
Methyl 4-methoxy-3-trimethylsilyloxybenzoate
C12H18O4Si (254.09743079999998)
Butanilicaine
C13H19ClN2O (254.11858339999998)
N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2-(2-Oxo-1,2-dihydro-pyridin-3-yl)-1h-benzoimidazole-5-carboxamidine
C13H12N5O+ (254.10418019999997)
(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
(2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
2-(Hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid
(2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Aspergillide A
A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1R,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
Merulin A, (rel)-
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides A natural product found in Endophytic fungi.
N-(2-fluoro-5-nitrophenyl)-2,2-dimethylbutanamide
C12H15FN2O3 (254.10666519999998)
1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone
N-(1,7-dimethyl-3-pyrazolo[3,4-b]quinolinyl)acetamide
(2R/S)-2-[4-(2-Fluoro-1-hydroxy-2-methylpropyl)-phenyl]-propionic acid methyl ester
(2S)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
(1S,2R,3R,4R,5S)-5-[(2S)-2,3-dihydroxypropoxy]-1-(hydroxymethyl)cyclopentane-1,2,3,4-tetrol
6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
(3E,5E)-2-(4-Methoxy-4-oxobutyl)nona-3,5-dienoic acid
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
3-(2-Hydroxyphenyl)imino-1-pyridin-4-ylbutan-1-one
4,6-dimethyl-N-[(E)-1-(2-methylphenyl)ethylideneamino]pyrimidin-2-amine
3,5-Dimethoxy-4-[(trimethylsilyl)oxy]benzaldehyde
C12H18O4Si (254.09743079999998)
Methyl 4-methoxysalicylate, TMS derivative
C12H18O4Si (254.09743079999998)
1,2-Di-tert-butyl-1-chloro-2-fluoro-1,2-dimethyldisilane
2,5-Dimethoxybenzoic acid, trimethylsilyl ester
C12H18O4Si (254.09743079999998)
Dimethyl 1-methyl-1-((trimethylsilyl)oxy)propylphosphonate
C9H23O4PSi (254.11031679999996)
2-Hydroxy-3,7-dimethyl-5-(phenylazo)cyclohepta-2,4,6-trien-1-one
Methyl 8,8-ethylenedioxy-4,4-dimethyl-1alpha,5alpha-bicyclo(3.3.0)octane-2beta-carboxylate
3-(Methoxycarbonyl)-6-isopropyloctahydro-2H-cyclohepta[b]furan-2-one
dyphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Diphylline (Diprophylline) is a potent A1/A2 adenosine receptor antagonist and cyclic nucleotide phosphodiesterase inhibitor. Diphylline, a xanthine derivative, is a bronchodilator and vasodilator agent and has the potential for chronic bronchitis and emphysema[1][2]. Diphylline (Diprophylline) is a potent A1/A2 adenosine receptor antagonist and cyclic nucleotide phosphodiesterase inhibitor. Diphylline, a xanthine derivative, is a bronchodilator and vasodilator agent and has the potential for chronic bronchitis and emphysema[1][2].
midodrine
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Midodrine is an α1-receptor agonist, for the treatment of dysautonomia and orthostatic hypotension.
thiamylal
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2-O-alpha-D-Glucosylglycerol
A glucosylglycerol consisting of an alpha-D-glucosyl residue attached at position 2 of glycerol via a glycosidic bond.
pulcherriminate(2-)
An organic anion obtained by deprotonation of the two hydroxy groups of pulcherriminic acid; major species at pH 7.3.
2,6-Dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5R,6R)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid
1-(L-norleucin-6-yl)pyrraline
An N-substituted pyrraline formed via Maillard reaction of L-lysine with glucose.