Exact Mass: 472.2169182
Exact Mass Matches: 472.2169182
Found 500 metabolites which its exact mass value is equals to given mass value 472.2169182
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deoxylimonate
Deacetylnomilin
Isolated from orange (Citrus sinensis) and finger lime (Microcitrus australasica). Deacetylnomilin is found in lemon, sweet orange, and citrus. Deacetylnomilin is found in citrus. Deacetylnomilin is isolated from orange (Citrus sinensis) and finger lime (Microcitrus australasica
2-Hydroxy-imipramine glucuronide
2-Hydroxy-imipramine glucuronide is a metabolite of imipramine. Imipramine (sold as Antideprin, Deprimin, Deprinol, Depsol, Depsonil, Dynaprin, Eupramin, Imipramil, Irmin, Janimine, Melipramin, Surplix, Tofranil), also known as melipramine, is an antidepressant medication, a tricyclic antidepressant of the dibenzazepine group. Imipramine is mainly used in the treatment of major depression and enuresis (inability to control urination). It has also been evaluated for use in panic disorder. (Wikipedia)
Doxepin N-oxide glucuronide
Doxepin N-oxide glucuronide is a metabolite of doxepin. Doxepin is a psychotropic agent with tricyclic antidepressant and anxiolytic properties, known under many brand-names such as Aponal, the original preparation by Boehringer-Mannheim, now part of the Roche group; Adapine, Doxal, Deptran, Sinquan and Sinequan. As doxepin hydrochloride, it is the active ingredient in cream-based preparations (Zonalon and Xepin) for the treatment of dermatological itch. (Wikipedia)
Lexaptepid pegol
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent C274 - Antineoplastic Agent > C129821 - Antineoplastic Biological Agent C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C307 - Biological Agent
Linagliptin
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-8-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-2,3-dihydro-4H-chromen-4-one
Euchrenone a15
Kushenol H
2-{O3-carbamoyl-2-[(N-formimidoyl-glycyl)-methyl-amino]-beta-D-2-deoxy-gulopyranosylamino}-7-hydroxy-1(3),3a,5,6,7,7a-hexahydro-imidazo[4,5-c]pyridin-4-one
Tetra-Ac-(15alpha,16alpha,17beta)-Estra-1,3,5(10)-triene-3,15,16,17-tetrol
2-{[(5S)-5,6,7,8-tetrahydro-9-hydroxy-3,5-dimethylnaphthol[2,3-b]furan-4-yl]methyl}-3,5-dimethyl-6-[(3E)-pent-3-en-1-yl]-1-benzofuran-4,7-dione
5-hydroxy-8-methyl-6-(2-methylbutanoyl)-8-(4-methylpent-3-enyl)-4-phenyl-2h-pyrano[2,3-h]chromen-2-one
7-Deacetoxy-7-hydroxy-photogedunin|7-Deacetoxy-7-hydroxyphotogedunin
5-formyloxy-3,4-dimethoxy-benzoic acid 11-oxo-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-yl ester|Formylcinegallein
Olivetoric acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
5,6,6-Trimethoxy-11,12-dimethyl-4,5-(epoxymethanoxy)-2,2-butanobiphenyl-4,10-diol 10-(2-methylpropionate)
(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(4-hydroxy-4-methylpentyl)-8-methyl-2,3,7,8-tetrahydropyrano[3,2-g]chromen-4(6H)-one|Tomentin E
1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methyl-2-butenyl)phenyl]-1-butanone
(aS,6R,7R,8R)-5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2:4,5]benzo[1,2-d][1,3]dioxol-8-yl propanoate|kadsutherin B
Linagliptin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ala Gly Tyr Tyr
Ala Tyr Gly Tyr
Ala Tyr Tyr Gly
Cys His Ile Thr
Cys His Leu Thr
Cys His Thr Ile
Cys His Thr Leu
Cys Ile His Thr
Cys Ile Thr His
Cys Leu His Thr
Cys Leu Thr His
Cys Thr His Ile
Cys Thr His Leu
Cys Thr Ile His
Cys Thr Leu His
Asp Glu Ile Pro
Asp Glu Leu Pro
Asp Glu Pro Ile
Asp Glu Pro Leu
Asp Ile Glu Pro
Asp Ile Pro Glu
Asp Lys Asn Pro
C19H32N6O8 (472.22815119999996)
Asp Lys Pro Asn
C19H32N6O8 (472.22815119999996)
Asp Leu Glu Pro
Asp Leu Pro Glu
Asp Asn Lys Pro
C19H32N6O8 (472.22815119999996)
Asp Asn Pro Lys
C19H32N6O8 (472.22815119999996)
Asp Pro Glu Ile
Asp Pro Glu Leu
Asp Pro Ile Glu
Asp Pro Lys Asn
C19H32N6O8 (472.22815119999996)
Asp Pro Leu Glu
Asp Pro Asn Lys
C19H32N6O8 (472.22815119999996)
Glu Asp Ile Pro
Glu Asp Leu Pro
Glu Asp Pro Ile
Glu Asp Pro Leu
Glu Glu Pro Val
Glu Glu Val Pro
Glu Ile Asp Pro
Glu Ile Pro Asp
Glu Leu Asp Pro
Glu Leu Pro Asp
Glu Met Pro Pro
Glu Pro Asp Ile
Glu Pro Asp Leu
Glu Pro Glu Val
Glu Pro Ile Asp
Glu Pro Leu Asp
Glu Pro Met Pro
Glu Pro Pro Met
Glu Pro Val Glu
Glu Val Glu Pro
Glu Val Pro Glu
Phe Gly Ser Tyr
Phe Gly Tyr Ser
Phe Ser Gly Tyr
Phe Ser Tyr Gly
Phe Tyr Gly Ser
Gly His Pro Tyr
Gly His Tyr Pro
Gly Asn Pro Trp
Gly Asn Trp Pro
Gly Pro His Tyr
Gly Pro Asn Trp
Gly Pro Trp Asn
Gly Pro Tyr His
Gly Trp Asn Pro
Gly Trp Pro Asn
Gly Tyr Phe Ser
Gly Tyr His Pro
Gly Tyr Pro His
His Cys Ile Thr
His Cys Leu Thr
His Cys Thr Ile
His Cys Thr Leu
His Gly Pro Tyr
His Gly Tyr Pro
His Ile Cys Thr
His Ile Thr Cys
His Leu Cys Thr
His Leu Thr Cys
His Met Ser Val
His Met Val Ser
His Pro Gly Tyr
His Pro Tyr Gly
His Ser Met Val
His Ser Val Met
His Thr Cys Ile
His Thr Cys Leu
His Thr Ile Cys
His Thr Leu Cys
His Val Met Ser
His Val Ser Met
His Tyr Gly Pro
His Tyr Pro Gly
Ile Cys His Thr
Ile Cys Thr His
Ile Asp Glu Pro
Ile Asp Pro Glu
Ile Glu Asp Pro
Ile Glu Pro Asp
Ile His Cys Thr
Ile His Thr Cys
Ile Pro Asp Glu
Ile Pro Glu Asp
Ile Thr Cys His
Ile Thr His Cys
Lys Asp Asn Pro
C19H32N6O8 (472.22815119999996)
Lys Asp Pro Asn
C19H32N6O8 (472.22815119999996)
Lys Asn Asp Pro
C19H32N6O8 (472.22815119999996)
Lys Asn Pro Asp
C19H32N6O8 (472.22815119999996)
Lys Pro Asp Asn
C19H32N6O8 (472.22815119999996)
Lys Pro Asn Asp
C19H32N6O8 (472.22815119999996)
Leu Cys His Thr
Leu Cys Thr His
Leu Asp Glu Pro
Leu Asp Pro Glu
Leu Glu Asp Pro
Leu Glu Pro Asp
Leu His Cys Thr
Leu His Thr Cys
Leu Pro Asp Glu
Leu Pro Glu Asp
Leu Thr Cys His
Leu Thr His Cys
Met Glu Pro Pro
Met His Ser Val
Met His Val Ser
Met Pro Glu Pro
Met Pro Pro Glu
Met Ser His Val
Met Ser Val His
Met Val His Ser
Met Val Ser His
Asn Asp Lys Pro
C19H32N6O8 (472.22815119999996)
Asn Asp Pro Lys
C19H32N6O8 (472.22815119999996)
Asn Gly Pro Trp
Asn Gly Trp Pro
Asn Lys Asp Pro
C19H32N6O8 (472.22815119999996)
Asn Lys Pro Asp
C19H32N6O8 (472.22815119999996)
Asn Pro Asp Lys
C19H32N6O8 (472.22815119999996)
Asn Pro Gly Trp
Asn Pro Lys Asp
C19H32N6O8 (472.22815119999996)
Asn Pro Trp Gly
Asn Trp Gly Pro
Asn Trp Pro Gly
Pro Asp Glu Ile
Pro Asp Glu Leu
Pro Asp Ile Glu
Pro Asp Lys Asn
C19H32N6O8 (472.22815119999996)
Pro Asp Leu Glu
Pro Asp Asn Lys
C19H32N6O8 (472.22815119999996)
Pro Glu Asp Ile
Pro Glu Asp Leu
Pro Glu Glu Val
Pro Glu Ile Asp
Pro Glu Leu Asp
Pro Glu Met Pro
Pro Glu Pro Met
Pro Glu Val Glu
Pro Gly His Tyr
Pro Gly Asn Trp
Pro Gly Trp Asn
Pro Gly Tyr His
Pro His Gly Tyr
Pro His Tyr Gly
Pro Ile Asp Glu
Pro Ile Glu Asp
Pro Lys Asp Asn
C19H32N6O8 (472.22815119999996)
Pro Lys Asn Asp
C19H32N6O8 (472.22815119999996)
Pro Leu Asp Glu
Pro Leu Glu Asp
Pro Met Glu Pro
Pro Met Pro Glu
Pro Asn Asp Lys
C19H32N6O8 (472.22815119999996)
Pro Asn Gly Trp
Pro Asn Lys Asp
C19H32N6O8 (472.22815119999996)
Pro Asn Trp Gly
Pro Pro Glu Met
Pro Pro Met Glu
Pro Pro Pro Tyr
Pro Pro Tyr Pro
Pro Gln Gln Thr
C19H32N6O8 (472.22815119999996)
Pro Gln Thr Gln
C19H32N6O8 (472.22815119999996)
Pro Thr Gln Gln
C19H32N6O8 (472.22815119999996)
Pro Val Glu Glu
Pro Trp Gly Asn
Pro Trp Asn Gly
Pro Tyr Gly His
Pro Tyr His Gly
Pro Tyr Pro Pro
Gln Pro Gln Thr
C19H32N6O8 (472.22815119999996)
Gln Pro Thr Gln
C19H32N6O8 (472.22815119999996)
Gln Gln Pro Thr
C19H32N6O8 (472.22815119999996)
Gln Gln Thr Pro
C19H32N6O8 (472.22815119999996)
Gln Thr Pro Gln
C19H32N6O8 (472.22815119999996)
Gln Thr Gln Pro
C19H32N6O8 (472.22815119999996)
Ser His Met Val
Ser His Val Met
Ser Met His Val
Ser Met Val His
Ser Val His Met
Ser Val Met His
Thr Cys His Ile
Thr Cys His Leu
Thr Cys Ile His
Thr Cys Leu His
Thr His Cys Ile
Thr His Cys Leu
Thr His Ile Cys
Thr His Leu Cys
Thr Ile Cys His
Thr Ile His Cys
Thr Leu Cys His
Thr Leu His Cys
Thr Pro Gln Gln
C19H32N6O8 (472.22815119999996)
Thr Gln Pro Gln
C19H32N6O8 (472.22815119999996)
Thr Gln Gln Pro
C19H32N6O8 (472.22815119999996)
Val Glu Glu Pro
Val Glu Pro Glu
Val His Met Ser
Val His Ser Met
Val Met His Ser
Val Met Ser His
Val Pro Glu Glu
Val Ser His Met
Val Ser Met His
Trp Gly Asn Pro
Trp Gly Pro Asn
Trp Asn Gly Pro
Trp Asn Pro Gly
Trp Pro Gly Asn
Trp Pro Asn Gly
Tyr Gly Phe Ser
Tyr Gly His Pro
Tyr Gly Pro His
Tyr Gly Ser Phe
Tyr Gly Tyr Ala
Tyr His Gly Pro
Tyr His Pro Gly
Tyr Pro Gly His
Tyr Pro His Gly
Tyr Pro Pro Pro
Tyr Ser Phe Gly
Tyr Ser Gly Phe
Tyr Tyr Ala Gly
Tyr Tyr Gly Ala
Fluprostenol methyl ester
BAY-u9773
C27H36O5S (472.22833260000004)
Isolimonin
ST 26:7;O8
butane-1,4-diol,2,4-diisocyanato-1-methylbenzene,ethane-1,2-diol,hexanedioic acid
C21H32N2O10 (472.20568519999995)
SCHROCK ALKYNE METATHESIS CATALYST
C17H36O3W (472.21738360000006)
(2S,4S)-BENZYL 2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)METHYL)-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
4-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
butane-1,4-diol,1,3-diisocyanato-2-methylbenzene,ethane-1,2-diol,hexanedioic acid
C21H32N2O10 (472.20568519999995)
8-(3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione
B5R5IQ1D64
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
[1-[[(2R,3R,4S,5S)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]azanium
4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}benzoic acid
C27H36O5S (472.22833260000004)
SuvanineS sodium salt
C25H37NaO5S (472.22592720000006)
A natural product found in Coscinoderma species.
Puromycin(1+)
Puromycin monoprotonated at the amino nitrogen. It is the predominant species at pH 7.3.
4-ethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
1-(3-Methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea
1-(2-Methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea
3-methyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenyl-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
C29H24N6O (472.20114939999996)
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(3S,6aR,8R,10aR)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
C26H33ClN2O4 (472.21287280000007)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
2-[(3R,6aR,8S,10aR)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
C26H33ClN2O4 (472.21287280000007)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
2-[(3S,6aR,8S,10aR)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
C26H33ClN2O4 (472.21287280000007)
2-[(3R,6aS,8R,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
C26H33ClN2O4 (472.21287280000007)
2-[(3S,6aS,8R,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
C26H33ClN2O4 (472.21287280000007)
N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
N-[(4S,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(4S,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(4R,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(3R,6aR,8R,10aR)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
C26H33ClN2O4 (472.21287280000007)
2-[(3S,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
C26H33ClN2O4 (472.21287280000007)
[(3aS,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone
N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
(2S)-2-[(4R,5R)-5-[(dimethylamino)methyl]-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-5-[(dimethylamino)methyl]-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[(4R,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(4R,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(4R,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(4S,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(4S,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(3R,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
C26H33ClN2O4 (472.21287280000007)
[(3aS,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone
[(3aR,4R,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone
[(1R)-2-[(4-fluorophenyl)methyl]-7-methoxy-1-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C28H29FN4O2 (472.22744259999996)
[(1S)-2-[(4-fluorophenyl)methyl]-7-methoxy-1-(2-pyridinylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C28H29FN4O2 (472.22744259999996)
(1-acetyloxy-3-phosphonooxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
5,5-Methylenedi(2-para-tolylperhydropyrrolo(3,4-C)pyrrole-1,3-dione)
PF-00835231
A primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity.
7,7,20,20-tetramethyl-16-(3-methylbut-2-en-1-yl)-8,12,19,25-tetraoxahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosa-2,4(9),5,10,15(24),16,18(23),21-octaen-17-ol
methyl (1s,2s,12s,14r,17r,19s,21r)-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosa-4,10-diene-1-carboxylate
8-({2,4-dihydroxy-6-methoxy-5-methyl-3-[(2r)-2-methylbutanoyl]phenyl}methyl)-5,7-dihydroxy-2,2,6-trimethyl-3h-1-benzopyran-4-one
(2s)-2-({3-[(2-{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxypropylidene}amino)-3-(4-hydroxyphenyl)propanoic acid
methyl 2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosa-4,10-diene-1-carboxylate
9-({3,3-dimethyl-11h-pyrano[3,2-a]carbazol-5-yl}methyl)-1-methoxy-3-methylcarbazole
1,3-dibutyl (1r,2r,3s,4s)-2,4-bis(3,4-dihydroxyphenyl)cyclobutane-1,3-dicarboxylate
1-[(2s,5s)-4-benzoyl-2-benzyl-5-[(7-hydroxy-2h-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
(1r,3ar,3bs,5r,7s,9ar,9br,11ar)-3a,3b,7-trihydroxy-9a,11a-dimethyl-11-oxo-1-(6-oxopyran-3-yl)-1h,2h,3h,4h,5h,7h,8h,9h,9bh,10h-cyclopenta[a]phenanthren-5-yl acetate
methyl 16-(acetyloxy)-11-hydroxy-2,6,6,11,14-pentamethyl-17-methylidene-8,15-dioxo-7-oxatetracyclo[12.2.1.0²,¹².0⁵,¹⁰]heptadeca-4,9-diene-1-carboxylate
4-[2,4-dihydroxy-6-(2-oxoheptyl)benzoyloxy]-2-hydroxy-6-pentylbenzoic acid
2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-8-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-2,3-dihydro-1-benzopyran-4-one
2-acetoxycaesaldekarin e
{"Ingredient_id": "HBIN005112","Ingredient_name": "2-acetoxycaesaldekarin e","Alias": "NA","Ingredient_formula": "C26H32O8","Ingredient_Smile": "CC1=C2CCC3(C(C(C(C(C3(C2=CC4=C1C=CO4)C)OC(=O)C)OC(=O)C)OC(=O)C)(C)C)O","Ingredient_weight": "472.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "138","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44584001","DrugBank_id": "NA"}
6β-acetoxy-3β,8β,14β-trihydroxy-12-oxobufa-4,20,22-trienolide
{"Ingredient_id": "HBIN012249","Ingredient_name": "6\u03b2-acetoxy-3\u03b2,8\u03b2,14\u03b2-trihydroxy-12-oxobufa-4,20,22-trienolide","Alias": "NA","Ingredient_formula": "C26H32O8","Ingredient_Smile": "CC(=O)OC1CC2(C(CC(=O)C3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(CC5)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "300","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}