Exact Mass: 452.2536
Exact Mass Matches: 452.2536
Found 500 metabolites which its exact mass value is equals to given mass value 452.2536
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Repaglinide
Repaglinide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the meglitinide class of short-acting insulin secretagogues, which act by binding to cells of the pancreas to stimulate insulin release. Repaglinide induces an early insulin response to meals decreasing postprandial blood glucose levels. It should only be taken with meals and meal-time doses should be skipped with any skipped meal. Approximately one month of therapy is required before a decrease in fasting blood glucose is seen. Meglitnides may have a neutral effect on weight or cause a slight increase in weight. The average weight gain caused by meglitinides appears to be lower than that caused by sulfonylureas and insulin and appears to occur only in those naive to oral antidiabetic agents. Due to their mechanism of action, meglitinides may cause hypoglycemia although the risk is thought to be lower than that of sulfonylureas since their action is dependent on the presence of glucose. In addition to reducing postprandial and fasting blood glucose, meglitnides have been shown to decrease glycosylated hemoglobin (HbA1c) levels, which are reflective of the last 8-10 weeks of glucose control. Meglitinides appear to be more effective at lowering postprandial blood glucose than metformin, sulfonylureas and thiazolidinediones. Repaglinide is extensively metabolized in the liver and excreted in bile. Repaglinide metabolites do not possess appreciable hypoglycemic activity. Approximately 90\\% of a single orally administered dose is eliminated in feces and 8\\% in urine. C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98079 - Meglitinide Antidiabetic Agent A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins D007004 - Hypoglycemic Agents
Diphenoxylate
A meperidine congener used as an antidiarrheal, usually in combination with atropine. At high doses, it acts like morphine. Its unesterified metabolite difenoxin has similar properties and is used similarly. It has little or no analgesic activity. This medication is classified as a Schedule V under the Controlled Substances Act by the Food and Drug Administration (FDA) and the DEA in the United States when used in preparations. When diphenoxylate is used alone, it is classified as a Schedule II. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07D - Antipropulsives > A07DA - Antipropulsives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D005765 - Gastrointestinal Agents > D000930 - Antidiarrheals
Bisbenzimide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D020011 - Protective Agents > D011837 - Radiation-Protective Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D011838 - Radiation-Sensitizing Agents Bisbenzimide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=23491-52-3 (retrieved 2024-08-14) (CAS RN: 23491-52-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Rhodojaponin I
(14alpha,17beta,20S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide
(14alpha,17beta,20S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide is found in fruits. (14alpha,17beta,20S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide is a constituent of Physalis peruviana (Cape gooseberry) Constituent of Physalis peruviana (Cape gooseberry). (14alpha,17beta,20S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide is found in fruits.
Tafluprost
Tafluprost is only found in individuals that have used or taken this drug. It is a prostaglandin analogue used topically (as eye drops) to control the progression of glaucoma and in the management of ocular hypertension. Tafluprost was approved for use in the U.S. on February 10, 2012.Tafluprost is a prostaglandin F2a analogue. Specifically, Tafluprost is a prostanoid selective FP receptor agonist that is believed to reduce the intraocular pressure (IOP) by increasing the outflow of aqueous humor. Studies in animals and man suggest that the main mechanism of action is increased uveoscleral outflow. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EE - Prostaglandin analogues C78568 - Prostaglandin Analogue
PA(10:0/8:0)
PA(10:0/8:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(10:0/8:0), in particular, consists of one chain of capric acid at the C-1 position and one chain of caprylic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(8:0/10:0)
PA(8:0/10:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/10:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of capric acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
Delapril
Tribendimidine
Tribendimidine is an orally active, broad-spectrum anthelmintic agent, with particularly high activity against A. lumbricoides and N. americanus. Tribendimidine is also an L-type nicotinic acetylcholine receptor (nAChR) agonist[1][2][3].
7-O-Demethylisocephaeline
A pyridoisoquinoline consisting of (1beta)-emetan substituted by hydroxy groups at positions 6 and 7 and methoxy groups at positions 10 and 11. It is isolated from Psychotria klugii and exhibits antileishmanial activity.
(E)-5-hydroxy-N-[3-[5-[3-[[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpent-2-enamide
[(1S,2R,4aR,8aR)-1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate
2-Picenecarboxylic acid
(20R,22R)-21,24-epoxy-5beta-hydroxy-1-oxowitha-2,9(11),25(27)-trienolide|withametelinol-A
2??,5??,9??-Trihydroxy-10??,13??-diacetoxy-4??,20-epoxytaxa-11-ene
(15R)-scutecyprol A|15beta-scutecyprol A|15R-scutecyprol A|clerodin hemiacetal
(2beta,3beta,5alpha,6alpha)-2,3-bis(acetyloxy)-8,13-epoxy-6,9-dihydroxylabd-14-en-11-one|(3R,4aR,6S,6aS,8R,9S,10aS,10bS)-8,9-bis(acetyloxy)-3-ethenyldodecahydro-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|excolabdone A
7alpha,12alpha,14beta,15beta-tetrahydroxy-3beta,19-diacetoxy-ent-kaur-16-ene|pharicinin D
3beta,6alpha,11beta,15beta-tetrahydroxy-1alpha,7beta-diacetoxy-ent-kaur-16-ene|nervonin F
1alpha,3beta,6alpha,15beta-tetrahydroxy-7beta,11beta-diacetoxy-ent-kaur-16-ene|nervonin I
(1alpha,5alpha,6beta,7beta)-1,6-bis(acetyloxy)-8,13-epoxy-7,9-dihydroxylabd-14-en-11-one|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10-bis(acetyloxy)-3-ethenyldodecahydro-5,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|excolabdone B
antidesmanin E|antidesmanin F|erythro-4-(2-(2-methoxy-4-((E)-3,3-dimethylpenta-1,4-dienyl)phenoxy)-1-hydroxy-3,3-dimethylpent-4-enyl)-2-methoxyphenol|threo-4-(2-(2-methoxy-4-((E)-3,3-dimethylpenta-1,4-dienyl)phenoxy)-1-hydroxy-3,3-dimethylpent-4-enyl)-2-methoxyphenol
(20R,22R)-17beta-hydroxy-1,12-dioxowitha-2,5,24-trien-26,22-olide|jaborosalactone 44
9alpha,10beta-diacetoxy-2alpha,5alpha,14beta-trihydroxy-4,20-epoxy,11-taxene
3-epi-14,15-dihydrocaryoptinol|3beta-hydroxy-14,15-dihydroclerodin|ajubractin E
7beta,11alpha-diacetoxy-8,13-epoxy-6beta,9alpha-dihydroxylabd-14-ene-1-one|coleoforskolin
(3R,4S,5R,6R,2R,3S)-3-O-(2,3-diacetoxy-2-methylbutyryl)cuauhtemone
1-[11-(ferulyloxy)undecanoyl]glycerol|2,3-dihydroxypropyl 11-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}undecanoate
24,25,26,27-tetra-norapotirucalla-(apoeupha)-6alpha-acetoxy-7alpha-hydroxy-1,14,20,22-tetraen-21,23-epoxy-3-one|6alpha-O-acetyl-7-deacetylnimocinol
(22R)-4beta,27-dihydroxy-1-oxo-witha-2,5,16,24-tetraenolide|(4S,20S,22R)-4,27-dihydroxy-1-oxo-witha-2,5,16,24-tetraenolide
(20R,22R)-14,20-Dihydroxy-1-oxowitha-2,5,16,22-tetraenolide
3,22beta-dihydroxy-24,29-dinor-1(10),3,5-friedelatriene-2,7,21-trione
(22R,Z)-16beta,27-dihydroxy-1-oxo-witha-2,5,17(20),24-tetraenolide
3,7,9-trihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(20R,22R)-14,20-Dihydroxy-1-oxowitha-2,4,6,24-tetraenolide|14alpha,20alphaF-dihydroxy-1-oxo-22R-witha-2,4,6,24-tetraenolide
6beta,7beta,11beta,14beta,15beta-pentahydroxy-20-isoamoxy-7alpha,20-epoxy-ent-kaur-16-ene|hebeirubescensin F
16-en-27-deoxywithaferin A|27-deoxy-Delta(16)-withaferin A|5beta,6beta-epoxy-4beta-hydroxy-1-oxo-witha-2,16,24-trienolide
Repaglinide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98079 - Meglitinide Antidiabetic Agent A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 2189 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3349
Diphenoxylate
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07D - Antipropulsives > A07DA - Antipropulsives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D005765 - Gastrointestinal Agents > D000930 - Antidiarrheals
C28H36O5_2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydro-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-, (2R,4aS,6aS,12bR,14aS,14bR)
C24H36O8_Butanoic acid, 3-(acetyloxy)-2-hydroxy-2-methyl-, (1S,2R,4aR,8aR)-1-(acetyloxy)decahydro-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester
(2R,4aS,6aR,6aS,14aS,14bR)-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
[(1S,2R,4aR,8aR)-1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate_major
Ala His Ile Ile
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b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl
b-D-Glucopyranosiduronic acid, (3b,5a)-17-oxoestran-3-yl
b-D-Glucopyranosiduronic acid, (3b,5b)-17-oxoestran-3-yl
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Tafluprost
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EE - Prostaglandin analogues C78568 - Prostaglandin Analogue
octadecanoic acid-1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester
(14alpha,17beta,20S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide
Delapril
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
tert-Butyl-{3-[2-(diphenyl-phosphinoyl)-ethylidene]-4-methylene-cyclohexyloxy}-dimethyl-silane
1-Propanol, 2-methoxy-3-[(9Z)-9-octadecenyloxy]-, dihydrogen phosphorothioate, (2R)
1-hexadecyl-3-methylimidazolium hexafluorophosphate
GDC-0349
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor GDC-0349 is a potent and selective ATP-competitive mTOR inhibitor with a Ki of 3.8 nM. GDC-0349 inhibits of both mTORC1 and mTORC2 complexes. GDC-0349 is a potent and selective ATP-competitive mTOR inhibitor with a Ki of 3.8 nM. GDC-0349 inhibits of both mTORC1 and mTORC2 complexes.
Etripamil
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Bofutrelvir
COVID info from PDB, Protein Data Bank, clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C281 - Antiviral Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Paraminabeolide F
A withanolide that is 18,22:23,26-diepoxyergosta-1,4-diene substituted by oxo groups at positions 3, 18 and 26. It has been isolated from a Formosan soft coral Paraminabea acronocephala.
2-Ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid
EleutherazineB
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-18-hydroxyoctadec-9-enoate
Ala-Leu-Leu-His
A tetrapeptide composed of L-alanine, two L-leucine units, and an L-histidine joined in sequence.
1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea
1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(3-methylphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea
1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(4-methylphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea
[(1S,3S,4R,6R,8S,9S,10R,11R,14R,15R,17R)-17-acetyloxy-4,10,15-trihydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate
[(E)-2-[3-(furan-3-yl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]oct-5-enyl] hydrogen sulfate
(2S,3S,3aR,9bR)-7-[3-[dimethylamino(oxo)methyl]phenyl]-1-ethyl-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-7-[3-[dimethylamino(oxo)methyl]phenyl]-1-ethyl-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
(2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
(2S,3S,3aR,9bR)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
(1-Acetyloxy-3-phosphonooxypropan-2-yl) hexadecanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) pentadecanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) dodecanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) tetradecanoate
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) undecanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) tridecanoate
(1-Octanoyloxy-3-phosphonooxypropan-2-yl) decanoate
Bisbenzimide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D020011 - Protective Agents > D011837 - Radiation-Protective Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D011838 - Radiation-Sensitizing Agents
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] decanoate
phosphatidic acid 18:0
A phosphatidic acid in which the two acyl groups contain a total of 18 carbons and no double bonds.
GSK3326595
GSK3326595 is a protein arginine methyltransferase 5 (PRMT5) inhibitor. GSK3326595 decreases SARS-CoV-2 infection, inhibits cancer cell proliferation and induces pro-inflammatory macrophage polarization and increases hepatic triglyceride levels without affecting atherosclerosis. GSK3326595 can be used for research of relapsed/refractory mantle cell lymphoma[1][2][3][4][5].
2-ethoxy-4-({[(1s)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]-c-hydroxycarbonimidoyl}methyl)benzoic acid
(1r,2r,8s,10r,11r,15r,16s)-15-(furan-3-yl)-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadeca-3,12-dien-10-yl acetate
(1s,2s,4s,5s,8r,9s,10z,12r)-12-hydroxy-8-isopropyl-1,5,11-trimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-6,10,13-trien-2-yl (2e)-3-(1-methylimidazol-4-yl)prop-2-enoate
(1r,5r,8r)-8-[(1r,3as,3bs,5as,9ar,11as)-5a-hydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,11h-cyclopenta[a]phenanthren-1-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
(1s,2r,4r,6r,7s,10r,11r,16r,18r)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-14-oxo-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-12-en-18-yl acetate
(1r,2r,3r,4s,6s,9s,10s,11s,13s,14s,16s)-6-(acetyloxy)-2,16-dihydroxy-13-(hydroxymethyl)-5,5,9-trimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹⁴.0¹,¹⁰.0⁴,⁹]heptadecan-3-yl acetate
(1s,2r,4s,8r,9r,10s,14s,15r)-9-(acetyloxy)-2-hydroxy-1,10,14-trimethyl-5-methylidene-6-oxo-7,18-dioxatricyclo[13.2.1.0⁴,⁸]octadecan-14-yl acetate
8-(acetyloxy)-3,6,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate
6-(1-{3a-hydroxy-9a,11a-dimethyl-9-oxo-3h,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydropyran-2-one
(2-{2-[(1s,2r,4as,8ar)-1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]ethyl}-5-(furan-3-yl)pentyl)oxysulfonic acid
1-(furan-2-yl)-4-hydroxy-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate
(2r,4as,6as,12br,14as,14br)-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
(1s,2s,6s,7s,9r,13r,14s,15r,16s,17r)-11,14-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-3-oxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-16-yl acetate
(1r,3as,3br,9ar,9bs,11as)-1-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1-hydroxy-9a,11a-dimethyl-2h,3h,3ah,3bh,4h,6h,9bh,10h-cyclopenta[a]phenanthrene-9,11-dione
1-({3-ethyl-10-hydroxy-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl}methyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
6-(1-{6-hydroxy-9a,11a-dimethyl-9-oxo-3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydropyran-2-one
20-methyl-7,17,21,31-tetraazaoctacyclo[19.10.1.0³,¹⁹.0⁵,¹⁷.0⁶,¹⁴.0⁸,¹³.0²²,²⁷.0²⁸,³²]dotriaconta-6(14),8,10,12,18,22,24,26-octaen-11-ol
11,14-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-3-oxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-16-yl acetate
(1s,2r,7s,9r,11s,12s,15r,16s)-2,16-dimethyl-15-[(1s,4r,5r)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-3-one
5-[12-(chloromethylidene)-4-hydroxy-3,6,9-trimethyltetracyclo[6.6.1.0²,⁶.0¹¹,¹⁵]pentadeca-7,11(15)-dien-3-yl]-2-methylpentane-1,2,3,4-tetrol
6-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-hexahydro-2h-naphtho[2,1-b]pyran-5-yl acetate
[4-(acetyloxy)-5-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2h-furan-3-yl)ethyl]-hexahydro-2h-naphthalen-4a-yl]methyl acetate
4-[(1r,2r)-2-[4-(3,3-dimethylpenta-1,4-dien-1-yl)-2-methoxyphenoxy]-1-hydroxy-3,3-dimethylpent-4-en-1-yl]-2-methoxyphenol
3,10,11-trihydroxy-4,6b,8a,11,12b,14a-hexamethyl-8,10,12,12a,13,14-hexahydro-7h-picene-2,9-dione
(1s,3br,4r,5ar,9ar,9br,11s,11as)-1-(furan-3-yl)-4-hydroxy-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl acetate
(1r,2r,3r,4s,6s,9r,10s,11s,13s,14s,16s)-6-(acetyloxy)-2,16-dihydroxy-13-(hydroxymethyl)-5,5,9-trimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹⁴.0¹,¹⁰.0⁴,⁹]heptadecan-3-yl acetate
10-(acetyloxy)-3-ethenyl-5,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-hexahydro-2h-naphtho[2,1-b]pyran-6-yl acetate
17β-hydroxy-14α,20α-epoxy-1-oxo-(22r)-witha-3,5,24-trienolide
{"Ingredient_id": "HBIN001994","Ingredient_name": "17\u03b2-hydroxy-14\u03b1,20\u03b1-epoxy-1-oxo-(22r)-witha-3,5,24-trienolide","Alias": "NA","Ingredient_formula": "C28H36O5","Ingredient_Smile": "CC1=C(C(=O)OC(C1)C2(C3(CCC4(C3(CCC5C4CC=C6C5(C(=O)CC=C6)C)C)O2)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10091","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2alpha,5alpha,9alpha-trihydroxy-10beta,13alpha-diacetoxy-4beta,20-epoxytaxa-11-ene
{"Ingredient_id": "HBIN005247","Ingredient_name": "2alpha,5alpha,9alpha-trihydroxy-10beta,13alpha-diacetoxy-4beta,20-epoxytaxa-11-ene","Alias": "2\u03b1,5\u03b1,9\u03b1-trihydroxy-10\u03b2,13\u03b1-diacetoxy-4\u03b2,20-epoxytaxa-11-ene","Ingredient_formula": "C24H36O8","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C4(C3C(C(C2(C)C)CC1OC(=O)C)O)CO4)O)C)O)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32118;21688","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5β,6β-epoxy-4β-hydroxy-1-oxowitha-2,14,24-trienolide
{"Ingredient_id": "HBIN011454","Ingredient_name": "5\u03b2,6\u03b2-epoxy-4\u03b2-hydroxy-1-oxowitha-2,14,24-trienolide","Alias": "NA","Ingredient_formula": "C28H36O5","Ingredient_Smile": "CC12CC=C3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CCC6(C3(C(=O)C=CC6)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7127","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5β,6β-epoxy-4β-hydroxy-1-oxo-witha-2,16,24-trienolide
{"Ingredient_id": "HBIN011455","Ingredient_name": "5\u03b2,6\u03b2-epoxy-4\u03b2-hydroxy-1-oxo-witha-2,16,24-trienolide","Alias": "NA","Ingredient_formula": "C28H36O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7128","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6α-o-acetyl-7-deacetylnimocinol
{"Ingredient_id": "HBIN012215","Ingredient_name": "6\u03b1-o-acetyl-7-deacetylnimocinol","Alias": "NA","Ingredient_formula": "C28H36O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "364","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
benzoylramanone
{"Ingredient_id": "HBIN017830","Ingredient_name": "benzoylramanone","Alias": "NA","Ingredient_formula": "C28H36O5","Ingredient_Smile": "CC(=O)C1CCC2(C1(C(CC3C2CC=C4C3(CCC(C4)O)C)OC(=O)C5=CC=CC=C5)C)O","Ingredient_weight": "452.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2268","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101974123","DrugBank_id": "NA"}