Exact Mass: 452.2827
Exact Mass Matches: 452.2827
Found 500 metabolites which its exact mass value is equals to given mass value 452.2827
,
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
(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.
1-nonadecanoyl-glycero-3-phosphate
1-nonadecanoyl-glycero-3-phosphate is classified as a member of the 1-acylglycerol-3-phosphates. 1-acylglycerol-3-phosphates are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position. 1-nonadecanoyl-glycero-3-phosphate is a glycerophosphate lipid molecule
LysoPA(19:0/0:0)
LysoPA(19:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(19:0/0:0), in particular, consists of one chain of nonadecylic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
LysoPA(i-19:0/0:0)
LysoPA(i-19:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(i-19:0/0:0), in particular, consists of one chain of isononadecanoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
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.
24,24-Difluoro-1alpha,25-dihydroxyvitamin D3
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].
1-Cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
DG(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0)
DG(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0/0:0)
DG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
DG(2:0/0:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0/2:0)
DG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/0:0)
DG(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0/0:0)
DG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))
DG(2:0/0:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/0:0/2:0)
DG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(2:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0)
DG(2:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0/0:0)
DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))
DG(2:0/0:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0/2:0)
DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
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
2-Picenecarboxylic acid
methyl-13S-hydroxy-14R,15-diacetoxy-1(10)-ent-halimen-18-oate
(20R,22R)-21,24-epoxy-5beta-hydroxy-1-oxowitha-2,9(11),25(27)-trienolide|withametelinol-A
2alpha,3beta-dihydroxy-28-norurs-12,17,19(20),21(22)-tetraen-23-oic acid|2alpha,3beta-dihydroxy-28-norursa-12,17,19(20),21-tetraen-23-oic acid
18-dihydrocinnamoyloxy-labda-7,13E-dien-15-oic acid
19-(p-hydroxyhydrocinnamoyloxy)-ent-kauran-17-al|19--ent-kauran-17-al
14,15-Di-Ac,17-Me ester-13,14,15-Trihydroxy-7-labden-17-oic acid
13-O-alpha-rhamnopyranosyl-(+)-3beta-hydroxymanool
(4S,5S,7R,10S)-Eudesm-11-en-4-ol 2-O-((2S) 2-methylbutyryl)-beta-D-fucopyranoside|(4S,5S,7R,10S)-Eudesm-11-en-4-ol 2-O-<(2S) 2-methylbutyryl>-beta-D-fucopyranoside
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
O-3-isovaleroyl alpha-bisabolol beta-D-fucopyranoside
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
18-methylmalonyl-7alpha-hydroxy-methyltrineracetal
3alpha,7alpha,12alpha,23-Tetrahydroxy-cholansaeure-ethylester
(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
8|A-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate
3,22beta-dihydroxy-24,29-dinor-1(10),3,5-friedelatriene-2,7,21-trione
lettowinone|methyl [3-(3,7-dimethylocta.2,6-dienyl)-6-methyl-5-(3-methylbut-2-enyl)-1,4-dioxo-1,5,8,8a-tetrahydro-4H-naphthalen-4a-yl]acetate
6alpha,8alpha,23,14,15-erythro-pentahydroxy-labd-13(21),17-dien-16,19-olide|6alpha,8alpha,23,14,15-threo-pentahydroxy-labd-13(21),17-dien-16,19-olide
2.3-dihydroxy-24-nor-friedelatetraen-(1.3.5(10).7)-oic acid-(29)|2.3-Dihydroxy-24-nor-friedelatetraen-(1.3.5(10).7)-saeure-(29)|Dihydrocelastrol
(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
13S-labda-8(17),14-diene-13-(cis-hydroxycinnamoxy)-19-ol
(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
17-hydroxy-19-(p-hydroxyhydrocinnamoyloxy)-iso-kaurene|17-hydroxy-19--iso-kaurene
Triptohypol C
Triptohypol C is a pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii. It has a role as a plant metabolite and an apoptosis inducer. It is a pentacyclic triterpenoid, a monocarboxylic acid and a member of benzenediols. Dihydrocelastrol is a natural product found in Tripterygium hypoglaucum and Tripterygium wilfordii with data available. A pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii. Triptohypol C, a Tripterin (HY-13067) derivative, is a potent Nur77-targeting anti-inflammatory agent with an Kd value of 0.87 μM. Triptohypol C inhibits inflammatory response by promoting the interactions of Nur77 with TRAF2 and p62/SQSTM1[1].
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
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)
(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
Ala His Ile Ile
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4,4-difluoro-1α,25-dihydroxyvitamin D3 / 4,4-difluoro-1α,25-dihydroxycholecalciferol
(5Z,7E)-(1S,3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
23,23-difluoro-1α,25-dihydroxyvitamin D3 / 23,23-difluoro-1α,25-dihydroxycholecalciferol
24,24-difluoro-1α,25-dihydroxyvitamin D3 / 24,24-difluoro-1α,25-dihydroxycholecalciferol
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
4,4-difluoro-1alpha,25-dihydroxyvitamin D3
23,23-difluoro-1alpha,25-dihydroxyvitamin D3
24,24-difluoro-1alpha,25-dihydroxyvitamin D3
POLY(LAURYL METHACRYLATE-CO-ETHYLENE GLYCOL DIMETHACRYLATE)
8α-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnaMate
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
1-Cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
YM-750 is a potent acyl-CoA:cholesterol acyltransferase (ACAT) inhibitor (IC50=0.18 μM). ACAT catalyzes the formation of cholesteryl esters from cholesterol and long-chain fatty-acyl-coenzyme A[1][2].
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.
Butropium
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
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
23,23-difluoro-1alpha,25-dihydroxyvitamin D3/23,23-difluoro-1alpha,25-dihydroxycholecalciferol
N-hexadecanoyl-sn-glycero-3-phosphoethanolamine(1-)
[(2S,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azaniumyl)-3-[[(2S,3R)-3-azaniumyl-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-5-methyloxan-4-yl]-methylazanium
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-18-hydroxyoctadec-9-enoate
(5Z)-5-[(2E)-2-[1-(5,5-difluoro-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
[3-carboxy-2-[(10E,12E,14E)-9-hydroxy-16-oxooctadeca-10,12,14-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(10E,12E,14E)-16-hydroxy-9-oxooctadeca-10,12,14-trienoyl]oxypropyl]-trimethylazanium
8alpha-Hydroxylabda-13(16),14-dien-19-yl-cis-4-hydroxycinnamate
A natural product found in Metasequoia glyptostroboides.
Ala-Leu-Leu-His
A tetrapeptide composed of L-alanine, two L-leucine units, and an L-histidine joined in sequence.
epiandrosterone 3-beta-D-glucoside
A sterol 3-beta-D-glucoside that has epiandrosterone as the sterol component.
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
[(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
4-(dimethylamino)-N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylbutanamide
4-(dimethylamino)-N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide
4-(dimethylamino)-N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide
4-(dimethylamino)-N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide
2-[[(2R)-2-acetyloxy-3-undec-10-enoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(1-Acetyloxy-3-phosphonooxypropan-2-yl) hexadecanoate
[2-(Heptanoylamino)-3-hydroxynonyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Hexanoylamino)-3-hydroxydecyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-(Butanoylamino)-3-hydroxydodecyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(propanoylamino)tridecyl] 2-(trimethylazaniumyl)ethyl phosphate
(2-Acetamido-3-hydroxytetradecyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(pentanoylamino)undecyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(octanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
(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
2-[hydroxy-[2-hydroxy-3-[(Z)-tridec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] decanoate
lysophosphatidylethanolamine zwitterion 16:0
A lysophosphatidylethanolamine zwitterion in which the remaining acyl group (position not specified) contains 16 carbons and 0 double bonds.
phosphatidic acid 18:0
A phosphatidic acid in which the two acyl groups contain a total of 18 carbons and no double bonds.
BisMeLPA(17:0)
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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
2,5,8-trihydroxy-4-(3-hydroxypropanoyl)-4,7-dimethyl-3-(undecan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
(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
(2e)-5-[(1s,4ar,5r,8ar)-2,5,8a-trimethyl-5-{[(3-phenylpropanoyl)oxy]methyl}-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
(1r,3as,9as,9bs,11as)-1-[(2r,5r)-5-ethyl-5-hydroxy-6-methylhept-6-en-2-yl]-9a-methyl-7-oxo-1h,2h,3h,3ah,3bh,9bh,10h,11h-cyclopenta[a]phenanthrene-11a-carboxylic acid
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
4,5-dihydroxy-6-methyl-2-({1,1,4,7-tetramethyl-octahydro-1ah-cyclopropa[e]azulen-4-yl}oxy)oxan-3-yl 2-methylbutanoate
(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
(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
[5-(3-hydroxy-3-methylpent-4-en-1-yl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalen-1-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
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
(6e,10e)-6,10-dimethyl-12-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(4-methylpent-3-en-1-yl)dodeca-2,6,10-trien-1-yl acetate
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
(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
2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]icosane-3,12-dione
(6r)-6-[(1r,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid
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
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"}
2α,3β-dihydroxy-28-norurs-12,17,19(20),21-te-traen-23-oiccid
{"Ingredient_id": "HBIN005224","Ingredient_name": "2\u03b1,3\u03b2-dihydroxy-28-norurs-12,17,19(20),21-te-traen-23-oiccid","Alias": "NA","Ingredient_formula": "C29H40O4","Ingredient_Smile": "CC1=C(C2=C(CCC3(C2=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C)C=C1)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15125","TCMID_id": "6054","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"}
8α-hydroxyabda-13(16),14-dien-19-yl-(z)-4-hy-droxycinnamate
{"Ingredient_id": "HBIN013630","Ingredient_name": "8\u03b1-hydroxyabda-13(16),14-dien-19-yl-(z)-4-hy-droxycinnamate","Alias": "NA","Ingredient_formula": "C29H40O4","Ingredient_Smile": "CC1(CCCC2(C1CCC(C2CCC(=C)C=C)(C)O)C)COC(=O)C=CC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10299","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"}