Exact Mass: 558.2326
Exact Mass Matches: 558.2326
Found 500 metabolites which its exact mass value is equals to given mass value 558.2326
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Atorvastatin
Atorvastatin (INN) is a member of the drug class known as statins, used for lowering cholesterol and thereby reducing cardiovascular disease. Atorvastatin inhibits a rate-determining enzyme located in hepatic tissue used in cholesterol synthesis, which lowers the amount of cholesterol produced. This also has the effect of lowering the total amount of LDL cholesterol; Atorvastatin is a member of the drug class known as statins, used for lowering cholesterol and thereby reducing cardiovascular disease. Atorvastatin inhibits a rate-determining enzyme located in hepatic tissue used in cholesterol synthesis, which lowers the amount of cholesterol produced. This also has the effect of lowering the total amount of LDL cholesterol; As with other statins, atorvastatin is a competitive inhibitor of HMG-CoA reductase. Unlike most others, however, it is a completely synthetic compound. HMG-CoA reductase catalyzes the reduction of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) to mevalonate, which is the rate-limiting step in hepatic cholesterol biosynthesis. Inhibition of the enzyme decreases de novo cholesterol synthesis, increasing expression of low-density lipoprotein receptors (LDL receptors) on hepatocytes. This increases the LDL uptake by the hepatocytes, decreasing the amount of LDL in the blood. [HMDB] Atorvastatin is a member of the drug class known as statins, used for lowering cholesterol and thereby reducing cardiovascular disease. Atorvastatin inhibits a rate-determining enzyme located in hepatic tissue used in cholesterol synthesis, which lowers the amount of cholesterol produced. This also has the effect of lowering the total amount of LDL cholesterol; Atorvastatin is a member of the drug class known as statins, used for lowering cholesterol and thereby reducing cardiovascular disease. Atorvastatin inhibits a rate-determining enzyme located in hepatic tissue used in cholesterol synthesis, which lowers the amount of cholesterol produced. This also has the effect of lowering the total amount of LDL cholesterol; As with other statins, atorvastatin is a competitive inhibitor of HMG-CoA reductase. Unlike most others, however, it is a completely synthetic compound. HMG-CoA reductase catalyzes the reduction of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) to mevalonate, which is the rate-limiting step in hepatic cholesterol biosynthesis. Inhibition of the enzyme decreases de novo cholesterol synthesis, increasing expression of low-density lipoprotein receptors (LDL receptors) on hepatocytes. This increases the LDL uptake by the hepatocytes, decreasing the amount of LDL in the blood. CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4818; ORIGINAL_PRECURSOR_SCAN_NO 4814 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9293; ORIGINAL_PRECURSOR_SCAN_NO 9291 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4848; ORIGINAL_PRECURSOR_SCAN_NO 4846 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9346; ORIGINAL_PRECURSOR_SCAN_NO 9343 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4838; ORIGINAL_PRECURSOR_SCAN_NO 4836 ORIGINAL_ACQUISITION_NO 4846; CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4844 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9248; ORIGINAL_PRECURSOR_SCAN_NO 9243 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9306; ORIGINAL_PRECURSOR_SCAN_NO 9305 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4854; ORIGINAL_PRECURSOR_SCAN_NO 4852 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9353; ORIGINAL_PRECURSOR_SCAN_NO 9351 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9350; ORIGINAL_PRECURSOR_SCAN_NO 9348 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4846; ORIGINAL_PRECURSOR_SCAN_NO 4844 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4833 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4366; ORIGINAL_PRECURSOR_SCAN_NO 4362 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9335; ORIGINAL_PRECURSOR_SCAN_NO 9331 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9233; ORIGINAL_PRECURSOR_SCAN_NO 9231 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9381; ORIGINAL_PRECURSOR_SCAN_NO 9378 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9353; ORIGINAL_PRECURSOR_SCAN_NO 9351 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4881; ORIGINAL_PRECURSOR_SCAN_NO 4879 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4377; ORIGINAL_PRECURSOR_SCAN_NO 4376 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4961; ORIGINAL_PRECURSOR_SCAN_NO 4959 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9365; ORIGINAL_PRECURSOR_SCAN_NO 9364 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4867; ORIGINAL_PRECURSOR_SCAN_NO 4865 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4880 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9339; ORIGINAL_PRECURSOR_SCAN_NO 9336 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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 1129 CONFIDENCE standard compound; INTERNAL_ID 8593 D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Atorvastatin is an orally active HMG-CoA reductase inhibitor, has the ability to effectively decrease blood lipids. Atorvastatin inhibits human SV-SMC proliferation and invasion with IC50s of 0.39 μM and 2.39 μM, respectively[1][2][3].
Physalin I
From the famine food Physalis angulata (cutleaf ground cherry). Physalin I is found in herbs and spices and fruits. Physalin I is found in fruits. Physalin I is from the famine food Physalis angulata (cutleaf ground cherry).
Ustiloxin C
Ustiloxin C is found in cereals and cereal products. Ustiloxin C is isolated from the false smut balls caused by Ustilaginoidea virens on rice. Isolated from the false smut balls caused by Ustilaginoidea virens on rice. Ustiloxin C is found in cereals and cereal products.
Glaucarubol 15-O-beta-D-glucopyranoside
Glaucarubol 15-O-beta-D-glucopyranoside is found in fats and oils. Glaucarubol 15-O-beta-D-glucopyranoside is a constituent of Simarouba glauca (aceituno)
Eravacycline
Napsagatran
Olmesartan medoxomil
Secoisolariciresinol-sesquilignan
Secoisolariciresinol-sesquilignan is a member of the class of compounds known as dibenzylbutanediol lignans. Dibenzylbutanediol lignans are lignan compounds containing a 2,3-dibenzylbutane-1,4-diol moiety. Secoisolariciresinol-sesquilignan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Secoisolariciresinol-sesquilignan can be found in sesame, which makes secoisolariciresinol-sesquilignan a potential biomarker for the consumption of this food product.
Atorvastatin
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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2810 D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Atorvastatin is an orally active HMG-CoA reductase inhibitor, has the ability to effectively decrease blood lipids. Atorvastatin inhibits human SV-SMC proliferation and invasion with IC50s of 0.39 μM and 2.39 μM, respectively[1][2][3].
Lobetyolinin
Lobetyolinin shows anti-arrhythmic activity[1]. Lobetyolinin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Lobetyolinin shows anti-arrhythmic activity[1]. Lobetyolinin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Scutebarbatine A
Scutebarbatine A is a natural product found in Scutellaria barbata with data available.
Myrotoxin B
(9S,10R)-9,10,5-Triacetoxy-11-hydroxyumbelliprenin
Olmesartan medoxomil
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Olmesartan medoxomil is a potent and selective angiotensin AT1 receptor inhibitor with IC50 of 66.2 μM.
(2E)-3-phenylprop-2-enoic acid (3R,5R,5aS,6S,9S,9aS,10R)-6,10-bis(acetyloxy)-5a-[(acetyloxy)methyl]-octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoexepin-5-yl ester|1beta,6alpha,13-tris(acetyloxy)-9beta-(cynnamoyloxy)-4alpha-hydroxy-beta-dihydroagarofuran
1beta,8beta-diacetoxyl-6alpha,9alpha-difuroyloxydihydro-beta-agarofuran|orbiculin H
Punaglandin 2
rel-(2R,3aR,4R,4R,4aS,6R,8R,8aR,9R)-6-(benzoyloxy)-2,4,4a,6,7,8,8a,9-octahydro-2,4,8,9-tetrahydroxy-1,2,2,8a,12,12-hexamethylspiro[1,3]-dioxolane-4,5(3H)-[3a,9](methanoxymethano)[3aH]benz[f]inden-10-one|sumataxin A
15-O-[3-(4-Hydroxyphenyl)acetyl-beta-D-glucopyranoside-(5alpha,6alpha,9alpha)-9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide
6-O-[(2E)-2,6-dimethyl-8-hydroxy-2-octenoyloxy]secologanoside|6-O-[(2E)-2,6-dimethyl-8-hydroxy-2-octenoyl]secologanoside
2beta-acetoxy-4alpha-chloro-1beta,8-diangeloyloxy-3beta,10-dihydroxy-11-methoxybisabol-7(14)-ene
1,3,8-tri(p-hydroxybenzyl)-4-methoxyphenanthrene-2,7-diol
(-)-curcuhydroquinone 2,5-di-O-beta-D-glucopyranoside|2-[(1R)-1,5-dimethylhex-4-en-1-yl]-4-(beta-D-glucopyranosyloxy)-5-methylphenyl beta-D-glucopyranoside
5-oxodolichantoside|methyl (2R,3S,4R)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-{[(1R)-2,3,4,9-tetrahydro-2-methyl-3-oxo-1H-beta-carbolin-1-yl]methyl}-2H-pyran-5-carboxylate
12beta-O-beta-apiosyl-(1-6)-O-beta-glucopyranosyl hibiscone B|bombaside
Ala Pro Trp Trp
Ala Trp Pro Trp
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Cys His His Tyr
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PHYSALIN I
Glaucarubol 15-O-b-D-glucopyranoside
Ustiloxin C
Punaglandin 2
Nicansteroidin D
1,3,3-trimethyl-2-[2-phenyl-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole,perchlorate
Methyl-6-O-(tert.-butyldiphenylsilyl)-2,3,4-tri-O-acetyl-α-D-galactopyranoside
Eravacycline
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Yadanziolide U
A quassinoid that is picras-3-ene substituted by hydroxy groups at positions 1, 11, 12 and 15, oxo groups at positions 2 and 16 and a beta-D-glucopyranosyloxy residue at position 21. It has been isolated from he ethanol extract of the stem of Brucea mollis.
(22R)-2beta,3beta,14,20,25-pentahydroxy-6-oxo-5beta-cholest-7-en-22-yl phosphate
Ananolignan J
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma
orbiculin H
A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by acetoxy groups at positions 1 and 8 and furoyloxy groups at positions 6 and 9 (the 1beta,8beta,6alpha,9alpha stereoisomer). Isolated from Celastrus orbiculatus and exhibits inhibition of both NF-kappaB activation and nitric oxide production.
Asn-Trp-Cys-His
A tetrapeptide composed of L-asparagine, L-tryptophan, L-cysteine and L-histidine joined in sequence by peptide linkages.
benzyl [2-({3-O-benzoyl-4,6-dideoxy-4-[(3-hydroxy-3-methylbutanoyl)amino]-2-O-methyl-alpha-D-glucosyl}oxy)ethyl]carbamate
N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
2,2,2-trifluoro-N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-3-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
N-[3-[[(3S,3S,4R,5S)-5-(2-hydroxyethyl)-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyl-2-oxo-1-spiro[indole-3,2-oxolane]yl]methyl]phenyl]acetamide
1-[[(4S,5S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
2,2,2-trifluoro-N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
2,2,2-trifluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
1-[[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] octanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] nonanoate
[2-Heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] heptanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] undecanoate
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] dodecanoate
Atorvastatin
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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Atorvastatin is an orally active HMG-CoA reductase inhibitor, has the ability to effectively decrease blood lipids. Atorvastatin inhibits human SV-SMC proliferation and invasion with IC50s of 0.39 μM and 2.39 μM, respectively[1][2][3].
(rel)-Atorvastatin
GSK864
GSK864 is an isocitrate dehydrogenase 1 (IDH1) mutant inhibitor; inhibits IDH1 mutants R132C, R132H, and R132G with IC50 values of 8.8, 15.2 and 16.6 nM.
(1s,2s,3r,4s,7r,9s,10r,12r)-4-(acetyloxy)-1,9,12-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11,15-dioxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
methyl (2r)-2-[(1s,2r,5r,6r,11r,12r,13r,15s,17s,18r)-17-(acetyloxy)-6-(furan-3-yl)-11,13-dihydroxy-1,5,15-trimethyl-8,14-dioxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadec-9-en-18-yl]-2-hydroxyacetate
2-[2-(5-hydroxy-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propoxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol
[(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(22e)-25,26-dihydroxy-10,16-dimethyl-2,5,13,18,27,31-hexaoxaspiro[heptacyclo[22.4.3.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶.0²⁴,²⁸]dotriacontane-15,2'-oxirane]-10,20,22-triene-4,19-dione
[(2r,3s,4s,5r,6r)-6-{[(3ar,4r,6ar,8s,9ar,9bs)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
[(3ar,4s,9ar,9br)-6-methyl-3-methylidene-2-oxo-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate
(1e,6e)-1-{3-[(1s,2e)-1-(3,4-dimethoxyphenyl)but-2-en-1-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
(1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
(1r,2s,3r,4r,4as,8ar)-2-(benzoyloxy)-3-hydroxy-3,4,8a-trimethyl-8-methylidene-4-[2-(5-oxo-2h-furan-3-yl)ethyl]-hexahydronaphthalen-1-yl benzoate
(8s,9s,10r,11s)-11-(acetyloxy)-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2,4,6,13,15-hexaen-8-yl (2e)-2-methylbut-2-enoate
(1s,2s,7r,9r,11s,13r,14s,15r,16s,17r)-14,16-dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-3-one
(1r,7r,12r,14r,16s,17r,20z,22e,24r,28r)-25,26-dihydroxy-10,16-dimethyl-2,5,13,18,27,31-hexaoxaspiro[heptacyclo[22.4.3.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶.0²⁴,²⁸]dotriacontane-15,2'-oxirane]-10,20,22-triene-4,19-dione
9-methyl-3,6-dimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
methyl 2-[18-(acetyloxy)-6-(furan-3-yl)-15-hydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹³,¹⁸]nonadecan-19-yl]-2-hydroxyacetate
(8s)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,21,23,25,27,30(34),32,35-tetradecaene
(2z,4e)-1-[(1r,2r,6s)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
(2r,3r,4s,5s,6s)-2-{[(3as,11as)-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
(2s)-2-{[(2r)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-3-(3h-imidazol-4-yl)propanoic acid
(8s,9s,10r)-11-(acetyloxy)-3,9-dihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate
(2z,4e)-1-[(1r,2s,6s)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
11-(acetyloxy)-3,9-dihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl 2-methylbut-2-enoate
4,5-dihydroxy-2-({4-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl}methoxy)-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
(1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
2-[3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-5-hydroxy-6-methoxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate
(1r,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
{[(9z,11z,13s,14s,15z,17s,18r,19s,21s)-8-hydroxy-3,13,19-trimethoxy-9,15,17,21-tetramethyl-4,23-dioxo-22-oxa-7-azatricyclo[16.3.1.1²,⁶]tricosa-2,5,7,9,11,15-hexaen-14-yl]oxy}methanimidic acid
9-(furan-3-yl)-15-(1-hydroxy-2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
[6-({6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(2r,3s,4r,5r,6r)-6-{[(3as,5r,9ar,9bs)-5-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
({[(3r,4s,7s,10s,11r)-3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid
5-[(1s,3s,4s,5s,6s,7s,8r,11r,12r,14s,16s,18r,20s,22s,24s,25s)-5,6,11-trihydroxy-3,7,22-trimethyl-13,19,21,26,27-pentaoxaoctacyclo[22.2.1.0¹,¹⁸.0³,¹⁶.0⁴,¹².0⁷,¹¹.0¹²,¹⁴.0²⁰,²⁵]heptacosan-8-yl]pyran-2-one
2',7',9',12'-tetrahydroxy-5,5,8',11',14',14'-hexamethyl-16'-oxo-15'-oxaspiro[1,4-dioxolane-2,4'-tetracyclo[7.4.3.0¹,¹⁰.0³,⁸]hexadecan]-10'-en-5'-yl benzoate
18,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacos-12-ene-5,14,19,24-tetrone
(3s,5r)-2-[(1r,2s,3s,4s,5s)-3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-5-hydroxy-6-methoxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate
(1e,6e)-1-{3-[(2e)-1-(3,4-dimethoxyphenyl)but-2-en-1-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
(1r,5r,8s,10s,11s,12r,13s,16r,18s)-13-(acetyloxy)-5,8,18-trihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate
19-hydroxy-10-deacetylbaccatin iii
{"Ingredient_id": "HBIN002190","Ingredient_name": "19-hydroxy-10-deacetylbaccatin iii","Alias": "NA","Ingredient_formula": "C29H34O11","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1=O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)O","Ingredient_weight": "558.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9960","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102216735","DrugBank_id": "NA"}