Exact Mass: 595.2576752
Exact Mass Matches: 595.2576752
Found 345 metabolites which its exact mass value is equals to given mass value 595.2576752
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Acrimarine J
Acrimarine J is found in citrus. Acrimarine J is an alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisii) x Dancy tangerine (Citrus tangerina)]. Alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisii) x Dancy tangerine (Citrus tangerina)]. Acrimarine J is found in citrus.
Taurocholic acid 3-sulfate
C26H45NO10S2 (595.2484750000001)
Taurocholic acid 3-sulfate is a sulfated bile acid. It is a sulfate salt of taurocholic acid and is also known as cholaic acid, cholyltaurine, or acidum cholatauricum. Under normal circumstances, bile acid sulfation is a minor pathway. However in the presence of cholestasis, the fraction of the bile acid pool which is sulfated increases. Sulfation of bile acids increases the aqueous solubility of the amphipathic compounds and results in more efficient renal clearance as well as in decreased reabsorption from the intestinal lumen. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135).
Maymyrsine
[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,5-bis(Acetyloxy)-6-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid
Cathedulin E 8
3,4,5,5a,6,7,8,9-Octahydro-4,5-diacetoxy-6-(benzoyloxy)-10-(3-pyridylcarbonyloxy)-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzooxepin-9-ol
Nicotinic acid 6,7-diacetoxy-5-(benzoyloxy)-4-hydroxydecahydro-2,2,9-trimethyl-3,9a-methano-1-benzoxepin-5a-ylmethyl ester
(1S,4S,5S,6R,7R,8R,9R,10S)-1,8-diacetoxy-9-benzoyloxy-4-hydroxy-6-nicotinoyloxydihydro-beta-agarofuran
Asp Glu Phe Trp
Asp Glu Trp Phe
Asp Phe Glu Trp
Asp Phe Trp Glu
Asp Ile Trp Tyr
Asp Ile Tyr Trp
Asp Leu Trp Tyr
Asp Leu Tyr Trp
Asp Trp Glu Phe
Asp Trp Phe Glu
Asp Trp Ile Tyr
Asp Trp Leu Tyr
Asp Trp Tyr Ile
Asp Trp Tyr Leu
Asp Tyr Ile Trp
Asp Tyr Leu Trp
Asp Tyr Trp Ile
Asp Tyr Trp Leu
Glu Asp Phe Trp
Glu Asp Trp Phe
Glu Glu Arg Tyr
Glu Glu Tyr Arg
Glu Phe Asp Trp
Glu Phe Trp Asp
Glu Met Met Trp
C26H37N5O7S2 (595.2134292000001)
Glu Met Trp Met
C26H37N5O7S2 (595.2134292000001)
Glu Arg Glu Tyr
Glu Arg Tyr Glu
Glu Val Trp Tyr
Glu Val Tyr Trp
Glu Trp Asp Phe
Glu Trp Phe Asp
Glu Trp Met Met
C26H37N5O7S2 (595.2134292000001)
Glu Trp Val Tyr
Glu Trp Tyr Val
Glu Tyr Glu Arg
Glu Tyr Arg Glu
Glu Tyr Val Trp
Glu Tyr Trp Val
Phe Asp Glu Trp
Phe Asp Trp Glu
Phe Glu Asp Trp
Phe Glu Trp Asp
Phe Phe Pro Trp
C34H37N5O5 (595.2794551999999)
Phe Phe Trp Pro
C34H37N5O5 (595.2794551999999)
Phe His His Arg
Phe His Arg His
Phe Ile Met Trp
Phe Ile Trp Met
Phe Leu Met Trp
Phe Leu Trp Met
Phe Met Ile Trp
Phe Met Leu Trp
Phe Met Trp Ile
Phe Met Trp Leu
Phe Pro Phe Trp
C34H37N5O5 (595.2794551999999)
Phe Pro Trp Phe
C34H37N5O5 (595.2794551999999)
Phe Arg His His
Phe Trp Asp Glu
Phe Trp Glu Asp
Phe Trp Phe Pro
C34H37N5O5 (595.2794551999999)
Phe Trp Ile Met
Phe Trp Leu Met
Phe Trp Met Ile
Phe Trp Met Leu
Phe Trp Pro Phe
C34H37N5O5 (595.2794551999999)
His Phe His Arg
His Phe Arg His
His His Phe Arg
His His Arg Phe
His Asn Tyr Tyr
C28H33N7O8 (595.2390498000001)
His Arg Phe His
His Arg His Phe
His Tyr Asn Tyr
C28H33N7O8 (595.2390498000001)
His Tyr Tyr Asn
C28H33N7O8 (595.2390498000001)
Ile Asp Trp Tyr
Ile Asp Tyr Trp
Ile Phe Met Trp
Ile Phe Trp Met
Ile Met Phe Trp
Ile Met Trp Phe
Ile Trp Asp Tyr
Ile Trp Phe Met
Ile Trp Met Phe
Ile Trp Tyr Asp
Ile Tyr Asp Trp
Ile Tyr Trp Asp
Leu Asp Trp Tyr
Leu Asp Tyr Trp
Leu Phe Met Trp
Leu Phe Trp Met
Leu Met Phe Trp
Leu Met Trp Phe
Leu Trp Asp Tyr
Leu Trp Phe Met
Leu Trp Met Phe
Leu Trp Tyr Asp
Leu Tyr Asp Trp
Leu Tyr Trp Asp
Met Glu Met Trp
C26H37N5O7S2 (595.2134292000001)
Met Glu Trp Met
C26H37N5O7S2 (595.2134292000001)
Met Phe Ile Trp
Met Phe Leu Trp
Met Phe Trp Ile
Met Phe Trp Leu
Met Ile Phe Trp
Met Ile Trp Phe
Met Leu Phe Trp
Met Leu Trp Phe
Met Met Glu Trp
C26H37N5O7S2 (595.2134292000001)
Met Met Trp Glu
C26H37N5O7S2 (595.2134292000001)
Met Pro Trp Tyr
Met Pro Tyr Trp
Met Trp Glu Met
C26H37N5O7S2 (595.2134292000001)
Met Trp Phe Ile
Met Trp Phe Leu
Met Trp Ile Phe
Met Trp Leu Phe
Met Trp Met Glu
C26H37N5O7S2 (595.2134292000001)
Met Trp Pro Tyr
Met Trp Tyr Pro
Met Tyr Pro Trp
Met Tyr Trp Pro
Asn His Tyr Tyr
C28H33N7O8 (595.2390498000001)
Asn Asn Trp Tyr
C28H33N7O8 (595.2390498000001)
Asn Asn Tyr Trp
C28H33N7O8 (595.2390498000001)
Asn Trp Asn Tyr
C28H33N7O8 (595.2390498000001)
Asn Trp Tyr Asn
C28H33N7O8 (595.2390498000001)
Asn Tyr His Tyr
C28H33N7O8 (595.2390498000001)
Asn Tyr Asn Trp
C28H33N7O8 (595.2390498000001)
Asn Tyr Trp Asn
C28H33N7O8 (595.2390498000001)
Asn Tyr Tyr His
C28H33N7O8 (595.2390498000001)
Pro Phe Phe Trp
C34H37N5O5 (595.2794551999999)
Pro Phe Trp Phe
C34H37N5O5 (595.2794551999999)
Pro Met Trp Tyr
Pro Met Tyr Trp
Pro Trp Phe Phe
C34H37N5O5 (595.2794551999999)
Pro Trp Met Tyr
Pro Trp Tyr Met
Pro Tyr Met Trp
Pro Tyr Trp Met
Arg Glu Glu Tyr
Arg Glu Tyr Glu
Arg Phe His His
Arg His Phe His
Arg His His Phe
Arg Tyr Glu Glu
Val Glu Trp Tyr
Val Glu Tyr Trp
Val Trp Glu Tyr
Val Trp Tyr Glu
Val Tyr Glu Trp
Val Tyr Trp Glu
Trp Asp Glu Phe
Trp Asp Phe Glu
Trp Asp Ile Tyr
Trp Asp Leu Tyr
Trp Asp Tyr Ile
Trp Asp Tyr Leu
Trp Glu Asp Phe
Trp Glu Phe Asp
Trp Glu Met Met
C26H37N5O7S2 (595.2134292000001)
Trp Glu Val Tyr
Trp Glu Tyr Val
Trp Phe Asp Glu
Trp Phe Glu Asp
Trp Phe Phe Pro
C34H37N5O5 (595.2794551999999)
Trp Phe Ile Met
Trp Phe Leu Met
Trp Phe Met Ile
Trp Phe Met Leu
Trp Phe Pro Phe
C34H37N5O5 (595.2794551999999)
Trp Ile Asp Tyr
Trp Ile Phe Met
Trp Ile Met Phe
Trp Ile Tyr Asp
Trp Leu Asp Tyr
Trp Leu Phe Met
Trp Leu Met Phe
Trp Leu Tyr Asp
Trp Met Glu Met
C26H37N5O7S2 (595.2134292000001)
Trp Met Phe Ile
Trp Met Phe Leu
Trp Met Ile Phe
Trp Met Leu Phe
Trp Met Met Glu
C26H37N5O7S2 (595.2134292000001)
Trp Met Pro Tyr
Trp Met Tyr Pro
Trp Asn Asn Tyr
C28H33N7O8 (595.2390498000001)
Trp Asn Tyr Asn
C28H33N7O8 (595.2390498000001)
Trp Pro Phe Phe
C34H37N5O5 (595.2794551999999)
Trp Pro Met Tyr
Trp Pro Tyr Met
Trp Val Glu Tyr
Trp Val Tyr Glu
Trp Tyr Asp Ile
Trp Tyr Asp Leu
Trp Tyr Glu Val
Trp Tyr Ile Asp
Trp Tyr Leu Asp
Trp Tyr Met Pro
Trp Tyr Asn Asn
C28H33N7O8 (595.2390498000001)
Trp Tyr Pro Met
Trp Tyr Val Glu
Tyr Asp Ile Trp
Tyr Asp Leu Trp
Tyr Asp Trp Ile
Tyr Asp Trp Leu
Tyr Glu Glu Arg
Tyr Glu Arg Glu
Tyr Glu Val Trp
Tyr Glu Trp Val
Tyr His Asn Tyr
C28H33N7O8 (595.2390498000001)
Tyr His Tyr Asn
C28H33N7O8 (595.2390498000001)
Tyr Ile Asp Trp
Tyr Ile Trp Asp
Tyr Leu Asp Trp
Tyr Leu Trp Asp
Tyr Met Pro Trp
Tyr Met Trp Pro
Tyr Asn His Tyr
C28H33N7O8 (595.2390498000001)
Tyr Asn Asn Trp
C28H33N7O8 (595.2390498000001)
Tyr Asn Trp Asn
C28H33N7O8 (595.2390498000001)
Tyr Asn Tyr His
C28H33N7O8 (595.2390498000001)
Tyr Pro Met Trp
Tyr Pro Trp Met
Tyr Arg Glu Glu
Tyr Val Glu Trp
Tyr Val Trp Glu
Tyr Trp Asp Ile
Tyr Trp Asp Leu
Tyr Trp Glu Val
Tyr Trp Ile Asp
Tyr Trp Leu Asp
Tyr Trp Met Pro
Tyr Trp Asn Asn
C28H33N7O8 (595.2390498000001)
Tyr Trp Pro Met
Tyr Trp Val Glu
Tyr Tyr His Asn
C28H33N7O8 (595.2390498000001)
Tyr Tyr Asn His
C28H33N7O8 (595.2390498000001)
Taurocholate 3-sulfate
C26H45NO10S2 (595.2484750000001)
Ethanesulfonic acid, 2-[[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]amino]
C26H45NO10S2 (595.2484750000001)
Acrimarine J
Taurolagocholate-3-sulfate
C26H45NO10S2 (595.2484750000001)
4-METHOXYPHENYL 3,6-DI-O-BENZYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE
Osimertinib Mesylate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
L-Alanine, 3-((2,5-dimethyl-6-(4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-piperidinyl)-4-pyrimidinyl)amino)-N-((4-methoxyphenyl)sulfonyl)
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C2144 - Endothelial-Specific Integrin/Survival Signaling Inhibitor
Tauroselcholic acid se-75
V - Various > V09 - Diagnostic radiopharmaceuticals > V09D - Hepatic and reticulo endothelial system D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-
acs.jmedchem.1c00409_ST.209
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C34H37N5O5 (595.2794551999999)
(S)-4-(Pyren-1-yl)butyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-methylbutanoate
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
C34H37N5O5 (595.2794551999999)
4-chloro-N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C34H37N5O5 (595.2794551999999)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C34H37N5O5 (595.2794551999999)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
C34H37N5O5 (595.2794551999999)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
C34H37N5O5 (595.2794551999999)
4-chloro-N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
4-chloro-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
C34H37N5O5 (595.2794551999999)
4-chloro-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C29H42ClN3O6S (595.2482702000001)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C34H37N5O5 (595.2794551999999)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
C34H37N5O5 (595.2794551999999)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
C34H37N5O5 (595.2794551999999)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
C34H37N5O5 (595.2794551999999)
(4R,7R,8S)-14-[[(3-fluoroanilino)-oxomethyl]amino]-N-(3-fluorophenyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
C31H35F2N5O5 (595.2606123999999)
1,3-benzodioxol-5-yl-[(3R)-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]methanone
(2R)-2-hydroxy-3-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
C26H45NO10S2 (595.2484750000001)
2-[[(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
C26H45NO10S2 (595.2484750000001)
RGX-104
RGX-104 is an orally bioavailable and potent liver-X nuclear hormone receptor (LXR) agonist that modulates innate immunity via transcriptional activation of the ApoE gene.
(1s,2r,4s,5r,6r,7s,9r,12r)-5,12-bis(acetyloxy)-4-(benzoyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate
[(1s,2r,4s,5r,6s,7s,8s,9s)-5,8-bis(acetyloxy)-7-(benzoyloxy)-4-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl pyridine-2-carboxylate
(4r,7r)-n-[(1s,2s,4r,7r)-7-benzyl-4-ethyl-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
C34H37N5O5 (595.2794551999999)
(4r,7r)-n-[(1s,2s,4r,7s)-7-benzyl-4-ethyl-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
C34H37N5O5 (595.2794551999999)
5,12-bis(acetyloxy)-4-(benzoyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate
n-{[(2e,3r,4r,5s)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hexan-2-ylidene][(2-oxopropyl)-c-hydroxycarbonimidoyl]methyl}-2-(3-methoxy-5-methylnaphthalene-1-carbonyloxy)-2-(2-methyloxiran-2-yl)ethanimidic acid
C30H33N3O10 (595.2165838000001)
2α,3β,23-trihydroxyolean-12-en-28-oicacid o-β-d-xylopyranosyl-(1→3)-o-α-l-rhamnopy-ranosyl-(1→4)-o-β-d-glucopyranosyl-(1→6)-β-d-glucopyranosyl ester
C33H39F2N3O5 (595.2857627999999)
{"Ingredient_id": "HBIN005211","Ingredient_name": "2\u03b1,3\u03b2,23-trihydroxyolean-12-en-28-oicacid o-\u03b2-d-xylopyranosyl-(1\u21923)-o-\u03b1-l-rhamnopy-ranosyl-(1\u21924)-o-\u03b2-d-glucopyranosyl-(1\u21926)-\u03b2-d-glucopyranosyl ester","Alias": "NA","Ingredient_formula": "C33H39F2N3O5","Ingredient_Smile": "CCOC(=O)C1CC1C2=CC(=C(C=C2)OC)C3=C(N=C(C=C3)N4CCC4)CN5C(C(OC5O)C(=C)C=C(C=C(C)F)F)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21810","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,8-bis(acetyloxy)-5-(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl pyridine-3-carboxylate
13,23-dihydroxy-5-methoxy-12,12-dimethyl-24-[(3-methylbut-2-en-1-yl)oxy]-9-(2-methylprop-1-en-1-yl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraene-16,22-dione
(1s,2s,4r,5r,6r,7r,9r,12s)-5,12-bis(acetyloxy)-4-(benzoyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl pyridine-3-carboxylate
7,11-dihydroxy-6-methoxy-12-[(1s)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-en-1-yl]-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one
2-[(2e,3r,4r,5s)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hexan-2-ylidene]-2-{[(2s)-1-hydroxy-2-(3-methoxy-5-methylnaphthalene-1-carbonyloxy)-2-[(2s)-2-methyloxiran-2-yl]ethylidene]amino}-n-(2-oxopropyl)ethanimidic acid
C30H33N3O10 (595.2165838000001)