Exact Mass: 404.2634716
Exact Mass Matches: 404.2634716
Found 500 metabolites which its exact mass value is equals to given mass value 404.2634716
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lovastatin
Lovastatin is a fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). It has a role as an Aspergillus metabolite, a prodrug, an anticholesteremic drug and an antineoplastic agent. It is a polyketide, a statin (naturally occurring), a member of hexahydronaphthalenes, a delta-lactone and a fatty acid ester. It is functionally related to a (S)-2-methylbutyric acid and a mevastatin. Lovastatin, also known as the brand name product Mevacor, is a lipid-lowering drug and fungal metabolite derived synthetically from a fermentation product of Aspergillus terreus. Originally named Mevinolin, lovastatin belongs to the statin class of medications, which are used to lower the risk of cardiovascular disease and manage abnormal lipid levels by inhibiting the endogenous production of cholesterol in the liver. More specifically, statin medications competitively inhibit the enzyme hydroxymethylglutaryl-coenzyme A (HMG-CoA) Reductase, which catalyzes the conversion of HMG-CoA to mevalonic acid and is the third step in a sequence of metabolic reactions involved in the production of several compounds involved in lipid metabolism and transport including cholesterol, low-density lipoprotein (LDL) (sometimes referred to as "bad cholesterol"), and very low-density lipoprotein (VLDL). Prescribing of statin medications is considered standard practice following any cardiovascular events and for people with a moderate to high risk of development of CVD, such as those with Type 2 Diabetes. The clear evidence of the benefit of statin use coupled with very minimal side effects or long term effects has resulted in this class becoming one of the most widely prescribed medications in North America. Lovastatin and other drugs from the statin class of medications including [atorvastatin], [pravastatin], [rosuvastatin], [fluvastatin], and [simvastatin] are considered first-line options for the treatment of dyslipidemia. Increasing use of the statin class of drugs is largely due to the fact that cardiovascular disease (CVD), which includes heart attack, atherosclerosis, angina, peripheral artery disease, and stroke, has become a leading cause of death in high-income countries and a major cause of morbidity around the world. Elevated cholesterol levels, and in particular, elevated low-density lipoprotein (LDL) levels, are an important risk factor for the development of CVD. Use of statins to target and reduce LDL levels has been shown in a number of landmark studies to significantly reduce the risk of development of CVD and all-cause mortality. Statins are considered a cost-effective treatment option for CVD due to their evidence of reducing all-cause mortality including fatal and non-fatal CVD as well as the need for surgical revascularization or angioplasty following a heart attack. Evidence has shown that even for low-risk individuals (with <10\\\\% risk of a major vascular event occurring within 5 years) statins cause a 20\\\\%-22\\\\% relative reduction in major cardiovascular events (heart attack, stroke, coronary revascularization, and coronary death) for every 1 mmol/L reduction in LDL without any significant side effects or risks. While all statin medications are considered equally effective from a clinical standpoint, [rosuvastatin] is considered the most potent; doses of 10 to 40mg [rosuvastatin] per day were found in clinical studies to result in a 45.8\\\\% to 54.6\\\\% decrease in LDL cholesterol levels, while lovastatin has been found to have an average decrease in LDL-C of 25-40\\\\%. Potency is thought to correlate to tissue permeability as the more lipophilic statins such as lovastatin are thought to enter endothelial cells by passive diffusion, as opposed to hydrophilic statins such as [pravastatin] and [rosuvastatin] which are taken up into hepatocytes through OATP1B1 (org... Lovastatin is a cholesterol-lowering agent that belongs to the class of medications called statins. It was the second agent of this class discovered. It was discovered by Alfred Alberts and his team at Merck in 1978 after screening only 18 compounds over 2 weeks. The agent, also known as mevinolin, was isolated from the fungi Aspergillus terreus. Research on this compound was suddenly shut down in 1980 and the drug was not approved until 1987. Interesting, Akira Endo at Sankyo Co. (Japan) patented lovastatin isolated from Monascus ruber four months before Merck. Lovastatin was found to be 2 times more potent than its predecessor, mevastatin, the first discovered statin. Like mevastatin, lovastatin is structurally similar to hydroxymethylglutarate (HMG), a substituent of HMG-Coenzyme A (HMG-CoA), a substrate of the cholesterol biosynthesis pathway via the mevalonic acid pathway. Lovastatin is a competitive inhibitor of HMG-CoA reductase with a binding affinity 20,000 times greater than HMG-CoA. Lovastatin differs structurally from mevastatin by a single methyl group at the 6 position. Lovastatin is a prodrug that is activated by in vivo hydrolysis of the lactone ring. It, along with mevastatin, has served as one of the lead compounds for the development of the synthetic compounds used today. A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; EAWAG_UCHEM_ID 3139 CONFIDENCE standard compound; INTERNAL_ID 2212 Lovastatin is a cell-permeable HMG-CoA reductase inhibitor used to lower cholesterol. Lovastatin is a cell-permeable HMG-CoA reductase inhibitor used to lower cholesterol.
K-Strophanthidin
Strophanthidin is a 3beta-hydroxy steroid, a 14beta-hydroxy steroid, a 5beta-hydroxy steroid, a 19-oxo steroid, a member of cardenolides and a steroid aldehyde. It is functionally related to a 5beta-cardanolide. Strophanthidin is a natural product found in Crossosoma bigelovii, Adonis aestivalis, and other organisms with data available. 3 beta,5,14-Trihydroxy-19-oxo-5 beta-card-20(22)-enolide. The aglycone cardioactive agent isolated from Strophanthus Kombe, S. gratus and other species; it is a very toxic material formerly used as digitalis. Synonyms: Apocymarin; Corchorin; Cynotoxin; Corchorgenin. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins Strophanthidin is a naturally available cardiac glycoside[1]. Strophanthidin 0.1 and 1 nmol/L increases and 1~100 μmol/L inhibits the Na+/K+-ATPase activities, but Strophanthidin 10 and 100 nmol/L does not affect Na+/K+-ATPase activities in cardiac sarcolemmal[2]. Strophanthidin increases both diastolic and systolic intracellular Ca2+ concentration[3]. Strophanthidin is a naturally available cardiac glycoside[1]. Strophanthidin 0.1 and 1 nmol/L increases and 1~100 μmol/L inhibits the Na+/K+-ATPase activities, but Strophanthidin 10 and 100 nmol/L does not affect Na+/K+-ATPase activities in cardiac sarcolemmal[2]. Strophanthidin increases both diastolic and systolic intracellular Ca2+ concentration[3].
Hydrocortisoni acetas
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents Hydrocortisone acetate is a corticosteroid used to reduce swelling, itching and pain caused by minor skin irritations or hemorrhoids.
Androstane-3,17-diol dipropionate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Estradiol-17-phenylpropionate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
7a,12a-Dihydroxy-3-oxo-4-cholenoic acid
7a,12a-Dihydroxy-3-oxo-4-cholenoic acid is an unusual bile acids that have been detected in urine early in life, especially during the period up to 1 mo of age. This indicate that bile acid synthesis and metabolism in the liver of developing infants is significantly different from that occurring in the liver of adults. (PMID 10203155) [HMDB] 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid is an unusual bile acids that have been detected in urine early in life, especially during the period up to 1 mo of age. This indicate that bile acid synthesis and metabolism in the liver of developing infants is significantly different from that occurring in the liver of adults. (PMID 10203155).
1alpha-O-Methylquassin
1alpha-O-Methylquassin is a constituent of Quassia amara (Surinam quassia). Constituent of Quassia amara (Surinam quassia)
Lucidone C
Lucidone C is found in mushrooms. Lucidone C is a metabolite of Ganoderma lucidum (reishi). Metabolite of Ganoderma lucidum (reishi). Lucidone C is found in mushrooms.
16-Methyl-epi-nigakihemiacetal B
16-Methyl-epi-nigakihemiacetal B is a constituent of Quassia amara (Surinam quassia). Constituent of Quassia amara (Surinam quassia)
MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well. [HMDB] MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
MG(22:5(4Z,7Z,10Z,13Z,16Z)/0:0/0:0)
MG(22:5(4Z,7Z,10Z,13Z,16Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well. [HMDB] MG(22:5(4Z,7Z,10Z,13Z,16Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
MG(22:5(7Z,10Z,13Z,16Z,19Z)/0:0/0:0)
MG(22:5(7Z,10Z,13Z,16Z,19Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
11'-Carboxy-gamma-chromanol
11-Carboxy-gamma-tocopherol is a dehydrogenation carboxylate product of 11-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. r-Tocopherol provides different antioxidant activities in food and in-vitro studies and showed higher activity in trapping lipophilic electrophiles and reactive nitrogen and oxygen species. From the metabolism end product, only that of r-tocopherol (2,7,8-trimethyl-2-(b-carboxyethyl)-6-hydroxychroman), but not that of a-tocopherol, was identified to provide natriuretic activity. Only the r-tocopherol plasma level served as biomarker for cancer and cardiovascular risk. 11-Carboxy-gamma-tocopherol is a dehydrogenation carboxylate product of 11-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
Benzquinamide
Benzquinamide is only found in individuals that have used or taken this drug. It is an antiemetic compound with antihistaminic, mild anticholinergic, and sedative properties.The mechanism of action is not known, but presumably benzquinamide works via antagonism of muscarinic acetycholine receptors and histamine H1 receptors.
11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
[(1S,3S,7R,8R,8As)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2R)-2-methylbutanoate
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors D009676 - Noxae > D000963 - Antimetabolites
Androstane-3,17-diol dipropionate
Sulfamide, N,N-dimethyl-N'-((8alpha)-6-propylergolin-8-yl)-
Desoxycortisone acetate
Eliglustat
mepitiostane
C25H40O2S (404.27488600000004)
strophanthidin
4beta,8alpha-Dihydroxy-6alpha-vanilloyloxydauc-9-ene
Trichodermadienediol A
3alpha-Angeloyloxy-ent-labda-7,13E-dien-2beta,15-diol
Methyl 16-acetoxy-17-hydroxyacritoconifert-7-en-oate
8beta-Acetoxy-3beta-angeloyloxy-isocostic acid methyl ester
Trichodermadienediol B
(4R,4aS,8aS)-1-Hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid
5?-CHOLANIC ACID-3?-OL-6_7-DIONE
CONFIDENCE standard compound; INTERNAL_ID 269
caesalpinista B|methyl (4S,4aR,5R,6aS,7R,11aS,11bS)-11b-[(acetoxy)methyl]-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-5-hydroxy-4,7-dimethylphenanthro[3,2-b]furan-4-carboxylate
15beta,16-diacetoxy-12(R),15-epoxylabda-8(17),13(16)-diene
Nemosenin B = (1beta,10beta-Epoxy-3-hydroxy-6beta-dihydroangelyloxy-furoeremophilan)
3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,9,12,12a,12b,13,14,14a-decahydropicen-2(6bh)-one
3alpha,11alpha-Diacetoxy-5alpha-androstan-7,17-dion
15,16-diacetoxy-15,16-epoxy-neo-cleroda-3,12Z-diene|Di-Ac-15, 16-Epoxy-3, 12-clerodadiene-15, 16-diol
ent-1beta,1-diacetoxy-12alpha-hydroxy-beyer-15-ene|ent-1beta,17-diacetoxy-12alpha-hydroxybeyer-15-ene
Methyl 7.alpha.-acetoxy-6.beta.-hydroxyvouacapan-17.beta.-oate
2alpha,10alpha-diacetoxy-7,8-epoxydolabella-3(E),18-diene
Methyl 6.alpha.-acetoxy-7.beta.-hydroxyvouacapan-17.beta.-oate
6beta-acetoxy-3alpha-(3-methylpentanoyloxy)-10alphaH-furanoeremophil-9-one
(1Z,3E,7E,11S,12R,13S,14R)-13,14-diacetoxy-11,12-epoxy cembra-1,3,7-triene|flaccidoxide-13-acetate
2-Epimer,16,17alpha-dihydro-Affinogenin DII|affinogenin C
7-ketolithocholic Methyl ester
(5E,9E)-2-(acetyloxy)-2-[(E)-2-(acetyloxy)ethenyl]-6,10,14-trimethyl-5,9,13-pentadecatrienal
(1S*,4S*,9R*,11S*,14Z)-12,16-diacetoxyxeniaphylla-8(19),14-dien-5-one|gibberosin S
16-(2-methylbutyryloxy)-ent-labda-8(17),13Z-dien-15-oic acid|16-<2-methylbutyryloxy>-ent-labda-8(17),13Z-dien-15-oic acid
(6S,7R,14S)-6,7-diacetoxydolasta-1(15),8-dien-14-ol|6,7-Di-Ac 鈥樎?6S,7R,14S)-1(15),8-Dolastadiene-6,7,14-triol
1,1,1-(dodecahydro-1,4,7,9b-tetrazaphenalene)tri-1,2-propanediol
1,12-jativatriol diacetate|ent-1beta,12alpha-diacetoxy-17-hydroxybeyer-15-ene
4,6-Di-Ac 鈥樎?4beta,6alpha,14beta)-1(15),8-Dolastadiene-4,6,14-triol
12beta-Acetoxy-3beta,14-dihydroxy-14beta-pregn-5-en-15,20-dion|12beta-acetoxy-3beta,14-dihydroxy-14beta-pregn-5-ene-15,20-dione
2alpha,3beta,14-Trihydroxy-19-oxo-5alpha,14beta-card-20(22)-enolid|2alpha,3beta,14-trihydroxy-19-oxo-5alpha,14beta-card-20(22)-enolide|calopatrogenin|calotropagenin
12beta-O-acetyl-15alpha,28-dihydoxy-3-oxo-17-en-20,21,22,23,24,25,26,27-octanordammanran
3beta,5beta,14beta-trihydroxy-7beta,8-epoxy-card-20(22)-enolide|periforoside C
Nemosenin C = (1beta,10beta-Epoxy-3beta-hydroxy-6beta-isobutyryloxy-furoeremophilan)
19-acetoxy-3,3-dimethoxy-5alpha-pregn-20-ene|sclerosteroid J
19-(beta-Carboxy-n-propionyloxy)-(-)-Delta16-kauren-3alpha-ol
5-(2-hydroxyethan-1-one)-4,6-dihydroxy-7-(3,3-dimethylallyl)-2S-(1S-hydroxy-1,5-dimethylhex-4-enyl)-2,3-dihydrobenzofuran|harronin II
8-acetoxy-3,4-epoxy-1-((E)-3-methylpent-2-enoyloxy)bisabola-7(14),10-dien-2-one
glycerol mono-(E)-8,11,12-trihydroxy-9-octadecenoate
3alpha-angeloyloxy-15,18-dihydroxy-ent-labda-8(17),13E-diene
plakortolide S
An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
turraeanin A|[16(E),12S,15R]-16-acetoxy-12,15-epoxy-15-isopropoxy-ent-labda-8(17),13(16)-diene
Sculponeatin N
3-(2-Methylpropanoyl)-(ent-3beta)-3, 9-Dihydroxy-15-kauren-19-oic acid
ent-6beta,17-diacetoxy-labda-7,11E,14-triene-13-ol
(14E)-O15-acetyl-13-(acetyloxy)-20-oxo-4,15-didehydro-6,7,8,11,12,13-hexahydroretinol
Me ester-(3alpha,5beta)-3-Hydroxy-6-oxocholan-24-oic acid
8beta,12beta-dihydroxy-11alpha-senecioyloxy-sandaracopimar-15-ene
15,16-diacetoxy-15,16-epoxy-ent-cleroda-4(18),12Z-diene|Di-Ac 鈥樎?ent-12Z,15xi,16xi)-15,16-Epoxy-4(18),12-clerodadiee-15,16-diol
4(SR),7(SR)-diacetoxy-14(SR)-hydroxydolast-1(15),8-diene
8beta,12beta-dihydroxy-11alpha-tiglinoyloxy-sandaracopimar-15-ene
10R,13S-dihydroxy-4,8,12-trimethyl-1-(1-methylethenyl)-3(E),7(E),11(E)-cyclotetradecatriene 3-hydroxy-2-methylbutan-10-oate|cleospinol A 3-hydroxy-2-methylbutan-10-oate
Lovastatin
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 2212 D009676 - Noxae > D000963 - Antimetabolites relative retention time with respect to 9-anthracene Carboxylic Acid is 1.415 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.416 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.421 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.419 Lovastatin is a cell-permeable HMG-CoA reductase inhibitor used to lower cholesterol. Lovastatin is a cell-permeable HMG-CoA reductase inhibitor used to lower cholesterol.
C24H36O5_(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate
5?-CHOLANIC ACID-3?-OL-7_12-DIONE
CONFIDENCE standard compound; INTERNAL_ID 266
Lovastatin related ion M+H ; Mevinolin annotated in standard
methyl (4R,E)-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoate
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Ala Ile Thr Thr
Ala Leu Thr Thr
Ala Thr Ile Thr
Ala Thr Leu Thr
Ala Thr Thr Ile
Ala Thr Thr Leu
Ile Ala Thr Thr
Ile Ser Ser Val
Ile Ser Val Ser
Ile Thr Ala Thr
Ile Thr Thr Ala
Ile Val Ser Ser
Leu Ala Thr Thr
Leu Ser Ser Val
Leu Ser Val Ser
Leu Thr Ala Thr
Leu Thr Thr Ala
Leu Val Ser Ser
Ser Ile Ser Val
Ser Ile Val Ser
Ser Leu Ser Val
Ser Leu Val Ser
Ser Ser Ile Val
Ser Ser Leu Val
Ser Ser Val Ile
Ser Ser Val Leu
Ser Thr Val Val
Ser Val Ile Ser
Ser Val Leu Ser
Ser Val Ser Ile
Ser Val Ser Leu
Ser Val Thr Val
Ser Val Val Thr
Thr Ala Ile Thr
Thr Ala Leu Thr
Thr Ala Thr Ile
Thr Ala Thr Leu
Thr Ile Ala Thr
Thr Ile Thr Ala
Thr Leu Ala Thr
Thr Leu Thr Ala
Thr Ser Val Val
Thr Thr Ala Ile
Thr Thr Ala Leu
Thr Thr Ile Ala
Thr Thr Leu Ala
Thr Val Ser Val
Thr Val Val Ser
Val Ile Ser Ser
Val Leu Ser Ser
Val Ser Ile Ser
Val Ser Leu Ser
Val Ser Ser Ile
Val Ser Ser Leu
Val Ser Thr Val
Val Ser Val Thr
Val Thr Ser Val
Val Thr Val Ser
Val Val Ser Thr
Val Val Thr Ser
1α,25-dihydroxy-21-nor-20-oxavitamin D3 / 1α,25-dihydroxy-21-nor-20-oxacholecalciferol
1α,25-dihydroxy-24-nor-22-oxavitamin D3 / 1α,25-dihydroxy-24-nor-22-oxacholecalciferol
3α,11-Dihydroxy-12-oxo-5β-chol-9(11)-en-24-oic Acid
3α,12α-Dihydroxy-15-oxo-5β-chol-8(14)-en-24-oic Acid
3α,7α-Dihydroxy-12-oxo-5β-chol-9(11)-en-24-oic Acid
2,12alpha-Dihydroxy-3-oxo-5beta-chol-1-en-24-oic Acid
benzquinamide
Lucidone C
bhas#26
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#26 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
bhos#26
An omega-hydroxy fatty acid ascaroside that is oscr#26 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
1alpha,25-dihydroxy-21-nor-20-oxavitamin D3 / 1alpha,25-dihydroxy-21-nor-20-oxacholecalciferol
1alpha,25-dihydroxy-24-nor-22-oxavitamin D3 / 1alpha,25-dihydroxy-24-nor-22-oxacholecalciferol
Mepitiostane
C25H40O2S (404.27488600000004)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
(5beta,7alpha,12alpha)-7,12-Dihydroxychol-2-en-24-oic acid methyl ester
Trityl-L-Alanine Diethylammonium Salt
C26H32N2O2 (404.24636519999996)
Urea,N-(7-chloro-8-hydroxy-1-naphthalenyl)-N-dodecyl-
C23H33ClN2O2 (404.22304280000003)
1H-Indazole-1-propanamide,N-[2-(cyclopentylamino)-2-oxoethyl]-N-(phenylmethyl)-(9CI)
Eliglustat
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
7,12-dioxolitocholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
1-(Hexadecyl)-3-methylimidazolium hydrogen sulfate
C20H39N2.HO4S (404.2708640000001)
(((1R,3R)-5-(2-chloroethylidene)cyclohexane-1,3-diyl)bis(oxy)) bis(tert-butyldimethylsilane)
2-[(1,1-Dimethylethyl)phenylphosphino]-N2,N2,N6,N6-tetramethyl-[1,1-biphenyl]-2,6-diamine
C26H33N2P (404.23812280000004)
1-(Tetrahydro-2H-pyran-2-yl)-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
C20H34B2N2O5 (404.26536940000005)
butane-1,4-diol,ethane-1,2-diol,hexanedioic acid,2-(2-hydroxyethoxy)ethanol
C16H36O11 (404.22575059999997)
Cobiprostone
C21H34F2O5 (404.23741780000006)
C78276 - Agent Affecting Digestive System or Metabolism
(3R,14R)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxypentadecanoic acid
(3R)-15-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxypentadecanoic acid
Difluoro(5-{2-[(5-Octyl-1h-Pyrrol-2-Yl-Kappan)methylidene]-2h-Pyrrol-5-Yl-Kappan}pentanoato)boron
C22H31BF2N2O2 (404.2446519999999)
1alpha,25-dihydroxy-24-nor-22-oxavitamin D3/1alpha,25-dihydroxy-24-nor-22-oxacholecalciferol
6,7-Diketolithocholic acid
6,7-Diketolithocholic acid, also known as 3α,7α,12α-trihydroxy-5β-cholan-24-oic acid, is a derivative of lithocholic acid, which is a secondary bile acid. Bile acids are synthesized in the liver from cholesterol and are important for the digestion and absorption of dietary fats and oils. They are also involved in the transport of hydrophobic lipid molecules in the bloodstream. The presence of two ketone groups (diketo form) at the 6th and 7th positions of the steroid nucleus differentiates 6,7-Diketolithocholic acid from other bile acids. This structural modification can affect its physicochemical properties, such as solubility and hydrophobicity, which in turn can influence its biological activity and interaction with other molecules. In the context of bile acid metabolism, 6,7-Diketolithocholic acid may have implications in certain disease states. For example, it has been associated with cholestasis, a condition where bile flow from the liver is reduced, leading to bile accumulation and potential liver damage. The diketo form of lithocholic acid can also be involved in the pathogenesis of certain liver diseases, including liver cancer. Research on 6,7-Diketolithocholic acid and its derivatives is ongoing, and scientists are exploring their potential as therapeutic agents or as tools to better understand bile acid metabolism and related disorders.
(S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester
[3-Carboxy-2-(3,11-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[3-Carboxy-2-(3,7-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[3-Carboxy-2-(3,13-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[3-Carboxy-2-(3,8-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[3-Carboxy-2-(3,4-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[3-Carboxy-2-(3,5-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[3-Carboxy-2-(3,10-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[3-Carboxy-2-(3,12-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[3-Carboxy-2-(3,6-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[3-Carboxy-2-(3,9-dihydroxytetradecanoyloxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[2-(3-Methylphenyl)-5-phenyl-pyrazol-3-yl] decanoate
C26H32N2O2 (404.24636519999996)
Isoiguesterin
A pentacyclic triterpenoid that is a bisnortriterpene isolated from Salacia madagascariensis and exhibits antileishmanial and antileukemic activities.
10-((2R)-2-Hydroxypropyl)-1,4,7,10-tetraazacyclododecane 1,4,7-triacetic acid
(1R,6R)-6-[(2E,6E)-11-hydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]-3-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate
1,3,2-Dioxaphospholane, 2-hydroxy-4-[[(9Z)-9-octadecen-1-yloxy]methyl]-, 2-oxide, (4R)-
C21H41O5P (404.26914660000006)
1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide
(2S)-2-methylbutanoic acid [(7S,8S,8aR)-8-[2-[(2R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
1-[2-[[[4-(Dimethylamino)anilino]-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
methyl (4R,E)-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoate
[(3aS,4S,9bS)-8-(1-cyclohexenyl)-1-[(2-methoxyphenyl)methyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C26H32N2O2 (404.24636519999996)
(2S)-2-methylbutanoic acid [(1S,3R,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
1-(4-Methoxyphenyl)-3-{[(2r,4s,5s)-5-(4-thiomorpholinylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}urea
Methyl 3alpha-hydroxy-12-oxo-5beta-cholan-24-oate (11,11-D2)
2,3-dihydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[1-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] acetate
[1-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] butanoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-11,11-dideuterio-3-hydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
[(2S)-2,3-dihydroxypropyl] (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate
[1-Carboxy-3-(2-hydroxy-3-undecanoyloxypropoxy)propyl]-trimethylazanium
C21H42NO6+ (404.30119720000005)
[(2S)-2,3-dihydroxypropyl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate
[3-(3-Acetyloxy-2-octanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
[1-Carboxy-3-[2,3-di(pentanoyloxy)propoxy]propyl]-trimethylazanium
[1-Carboxy-3-(2-heptanoyloxy-3-propanoyloxypropoxy)propyl]-trimethylazanium
[3-(3-Butanoyloxy-2-hexanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
3beta,7beta,15alpha-Trihydroxy-4,4,14alpha-trimethyl-11,20-dioxo-5alpha-pregn-8-ene
7alpha-Hydroxy-3,12-dioxo-5beta-cholan-24-oic Acid
12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid
(5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
6beta,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid
3alpha-Hydroxy-11,12-dioxo-5beta-cholan-24-oic Acid
2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic Acid
3alpha,12alpha-Dihydroxy-6-oxo-5beta-chol-7-en-24-oic Acid
3alpha,11-Dihydroxy-12-oxo-5beta-chol-9(11)-en-24-oic Acid
3alpha,12alpha-Dihydroxy-15-oxo-5beta-chol-8(14)-en-24-oic Acid
yanuthone M
A class I yanuthone that is yanuthone K in which the double bond at the terminal end of the farnesyl substituent has undergone hydration to afford the corresponding tertiary alcohol. Isolated from the filamentous fungus Aspergillus niger, it shows antifungal activity towards the pathogenic yeast Candida albicans (IC50 = 77.5 +-3.7 muM).
7,12-dioxolithocholic acid
A bile acid that is lithocholic acid carrying two additional oxo substituents at positions 7 and 12.
DG(22:5)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
TBPB
C25H32N4O (404.25759819999996)
TBPB is an allosteric M1 mAChR agonist(EC50=289 nM) that regulates amyloid processing and produces antipsychotic-like activity in rats. IC50 value: 289 nM(EC50) [2] Target: M1 mAChR agonist in vitro: TBPB activates M(1) through an allosteric site rather than the orthosteric acetylcholine binding site, which is likely critical for its unprecedented selectivity. Whole-cell patch-clamp recordings demonstrated that activation of M(1) by TBPB potentiates NMDA receptor currents in hippocampal pyramidal cells but does not alter excitatory or inhibitory synaptic transmission, responses thought to be mediated by M(2) and M(4) [1]. in vivo: TBPB was efficacious in models predictive of antipsychotic-like activity in rats at doses that did not produce catalepsy or peripheral adverse effects of other mAChR agonists [1].