Exact Mass: 494.1212912
Exact Mass Matches: 494.1212912
Found 348 metabolites which its exact mass value is equals to given mass value 494.1212912,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Salvianolic acid A
Salvianolic acid A could protect the blood brain barrier through matrix metallopeptidase 9 (MMP-9) inhibition and anti-inflammation. Salvianolic acid A could protect the blood brain barrier through matrix metallopeptidase 9 (MMP-9) inhibition and anti-inflammation.
2-O-Galloylsucrose
2-O-Galloylsucrose is found in green vegetables. 2-O-Galloylsucrose is isolated from the commercial Chinese rhubarb (Rheum species). Isolated from the commercial Chinese rhubarb (Rheum subspecies). 2-O-Galloylsucrose is found in green vegetables.
Dihydroprudomenin
C23H26O12 (494.14241960000004)
Dihydroprudomenin is found in fruits. Dihydroprudomenin is isolated from wood of Prunus mume (Japanese apricot). Isolated from wood of Prunus mume (Japanese apricot). Dihydroprudomenin is found in herbs and spices and fruits.
Quercetagetin 3'-methylether 7-glucoside
Quercetagetin 3-methylether 7-glucoside is found in garland chrysanthemum. Quercetagetin 3-methylether 7-glucoside is isolated from Chrysanthemum coronarium (chop-suey greens). Isolated from Chrysanthemum coronarium (chop-suey greens). Quercetagetin 3-methylether 7-glucoside is found in garland chrysanthemum and herbs and spices.
6'-O-Galloylsucrose
6-O-Galloylsucrose is found in green vegetables. 6-O-Galloylsucrose is isolated from commercial Chinese rhubarb (Rheum species). Isolated from commercial Chinese rhubarb (Rheum subspecies). 6-O-Galloylsucrose is found in green vegetables.
Palmidin B
Palmidin B is found in green vegetables. Palmidin B is isolated from roots of Rheum palmatum (Turkey rhubarb) also cascara (Rhamnus purshiana). Isolated from roots of Rheum palmatum (Turkey rhubarb) also cascara (Rhamnus purshiana). Palmidin B is found in green vegetables.
6-O-Galloylsucrose
6-O-Galloylsucrose is found in green vegetables. 6-O-Galloylsucrose is isolated from commercial Chinese rhubarb (Rheum species). Isolated from commercial Chinese rhubarb (Rheum subspecies). 6-O-Galloylsucrose is found in green vegetables.
1'-O-Galloylsucrose
1-O-Galloylsucrose is found in green vegetables. 1-O-Galloylsucrose is a tannin isolated from commercial Chinese rhubarb (Rheum species). A tannin isolated from commercial Chinese rhubarb (Rheum subspecies). 1-O-Galloylsucrose is found in green vegetables.
Palmidin C
Palmidin C is found in green vegetables. Palmidin C is from roots of Rheum palmatum (Turkey rhubarb), also cascara. From roots of Rheum palmatum (Turkey rhubarb), also cascara. Palmidin C is found in green vegetables.
Pimentol
C23H26O12 (494.14241960000004)
Constituent of allspice (Pimenta officinalis). Pimentol is found in herbs and spices and fruits. Pimentol is found in fruits. Pimentol is a constituent of allspice (Pimenta officinalis)
4'-O-Galloylsucrose
Tannin constituent of commercial Chinese rhubarb (Rheum subspecies). 4-O-Galloylsucrose is found in green vegetables. 4-O-Galloylsucrose is found in green vegetables. Tannin constituent of commercial Chinese rhubarb (Rheum species).
4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide
C23H26O12 (494.14241960000004)
4-O-methyl-(-)-epicatechin-3-O-beta-glucuronide is a cocoa metabolite from gut microflora. It is found n urine.
Phenolphthalein glucuronide
Carbenicillin indanyl
C26H26N2O6S (494.15114960000005)
Salvianolic acid A
Belinostat glucuronide
C21H22N2O10S (494.09951120000005)
Patuletin 7-glucoside
Patuletin 7-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Patuletin 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Patuletin 7-glucoside can be found in german camomile, which makes patuletin 7-glucoside a potential biomarker for the consumption of this food product.
Salvianolic
Salvianolic acid A is a stilbenoid. Salvianolic acid A is under investigation in clinical trial NCT03908242 (Phase I Study of Continuous Administration of Salvianolic Acid A Tablet). Salvianolic acid A is a natural product found in Salvia miltiorrhiza, Salvia flava, and other organisms with data available. D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors D000970 - Antineoplastic Agents Salvianolic acid A could protect the blood brain barrier through matrix metallopeptidase 9 (MMP-9) inhibition and anti-inflammation. Salvianolic acid A could protect the blood brain barrier through matrix metallopeptidase 9 (MMP-9) inhibition and anti-inflammation.
Pervianoside I
C23H26O12 (494.14241960000004)
3,5,7,3,4-Pentahydroxy-6,8-dimethoxyflavone 3-alpha-L-arabinopyranoside
Quercetagetin 7-methyl ether 4-glucoside
7,8,4-Trihydroxy-3,5-dimethoxyflavanone 4-O-glucoside
C23H26O12 (494.14241960000004)
Myricetin 4-methyl ether 3-O-beta-D-galactopyranoside
Quercetagetin 7-methyl ether 6-glucoside
Quercetagetin 7-methyl ether 3-glucoside
Hibiscetin 8-methyl ether 3-rhamnoside
Peruvianoside II
C23H26O12 (494.14241960000004)
1-Galloyl-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside
Dihydroprudomenin
C23H26O12 (494.14241960000004)
1-Galloyl-??-D-glucopyranosyl-(1鈥樏傗垎4)-??-D-galactopyranoside
3,5,4-trihydroxy-6,7-dimethoxyflavone 3-O-glucoside
C23H26O12 (494.14241960000004)
3-[[(6-Methoxy-10-methyl-1H,3H-benzo[h]furo[4,3,2-de]-2-benzopyran-1-yl)oxy]methyl]-5-methylnaphtho[2,3-b]furan-4,9-dione
3-O-(E)-caffeoyl-4-O-galloyl-D-glucopyranose|3-O-(E)-Caffeoyl-4-O-galloyl-??-D-glucopyranose
3-Me ether,4-O-(6-O-galloyl-beta-D-glucopyanoside) -(E)-3-(3,4-Dihydroxyphenyl)-2-propen-1-ol|Cis-Coniferyl alcohol 4-O-(6-galloylglucopyranoside)
C23H26O12 (494.14241960000004)
3,5-Di-Me ether,tri-Ac-3,4,4,5,5-Pentahydroxy-2,7-cycloligna-7,7-dien-9,9-olide
Me glycoside,4,6-dibenzoyl,2-mesyl-3-O-Methylgalactose
C23H26O10S (494.1246616000001)
beta-D-glucopyranosyl-(6->1)-beta-D-glucopyranosyl 3,4,5-trihydroxybenzoate
1-O-(E)-caffeoyl-3-galloyl-beta-D-glucopyranose|1-O-(E)-caffeoyl-3-O-galloyl-beta-D-glucopyranose|1-O-(E)-Caffeoyl-3-O-galloyl-??-D-glucopyranose
1-O-caffeoyl-6-O-galloyl-beta-D-glucopyranose|1-O-(E)-caffeoyl-6-O-galloyl-beta-D-glucopyranose
6,6-(2-Methyl-1,5-dioxopentane-1,5-diyl)bis[1,3-dimethylpteridine-2,4(1H,3H)-dione]
2,5-di-O-beta-D-glucopyranosyloxy-1,3-dimethoxybenzene
5,7,4-trihydroxy-2,3-dimethoxy-isoflavanone 7-O-beta-glucopyranoside
C23H26O12 (494.14241960000004)
3beta,4-dihydroxy-7,3-dimethoxyflavonone-5-O-beta-D-glucopyranoside|irisdichotin A
C23H26O12 (494.14241960000004)
3,5,4-trihydroxy-7,3-dimethoxyflavanone 3-O-beta-D-glucopyranoside
C23H26O12 (494.14241960000004)
5,4-dimethoxy-7,3,5-trihydroxyflavanone-3-O-rhamnopyranoside
C23H26O12 (494.14241960000004)
10-O-benzoyldeacetylasperulosidic acid
C23H26O12 (494.14241960000004)
(S)-7,8-Di-Me ether,2-O-beta-D-glucopyranoside-2,5,5,7,8-Pentahydroxyflavanone
C23H26O12 (494.14241960000004)
1,4,5,8,9-Pentahydroxy-2,6-dimethyl[2,9-bianthracene]-9,10(9H,10H)-dione
10-O-(p-hydroxybenzoyl)geniposidic acid
C23H26O12 (494.14241960000004)
11-O-(3-O-methylgalloyl)-bergenin|11-O-(3-O-methylgalloyl)bergenin
12,13-dihydro-3,4,5,7-tetrahydroxy-12-hydroxymethyl-13-(17-hydroxyl-16,18-dimethoxyphenyl)-7H-benzo[c]xanthen-4-one|falloconvolin B
3,4,5,6,8,13-Hexahydro-2-methyl-8,13-dioxo-2,6-epoxy-2H-anthra[2,3-b]oxocin-7,9,11-triyl=triacetate
4-hydroxy-3,5-dimethoxyphenyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside|4-hydroxy-3,5-dimethoxyphenyl-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
3-hydroxy-4-O-beta-D-(6-O-acetylglucopyranosyl)benzyl vanilloate|litseaefoloside A
C23H26O12 (494.14241960000004)
5-O-beta-D-glucopyranosyl-6-[(1E,3E)-6-hydroxy-1,3-hexadienyl]-2-hydroxymethyl-thieno[2,3-e]isobenzofuran-8(6H)-one|echinothiophene
C23H26O10S (494.1246616000001)
3-acetyl-(-)-epicatechin 7-O-beta-D-glucopyranoside
C23H26O12 (494.14241960000004)
Nodakenetin-Glucose-malonic acid
C23H26O12 (494.14241960000004)
Laricitrin 3-O-glucoside
Laricitrin 3-O-glucoside is a natural product found in Vitis vinifera and Picea abies with data available.
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
C23H26O12_6-Hydroxy-1-{[6-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy}-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
C23H26O12 (494.14241960000004)
C23H26O12_(1S,4aS,7aS)-6-Hydroxy-1-{[2-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy}-7-methylene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
C23H26O12 (494.14241960000004)
Cys Asp Glu Glu
C17H26N4O11S (494.13187260000007)
Cys Glu Asp Glu
C17H26N4O11S (494.13187260000007)
Cys Glu Glu Asp
C17H26N4O11S (494.13187260000007)
Cys Met Asn Gln
Cys Met Gln Asn
Cys Asn Met Gln
Cys Asn Gln Met
Cys Gln Met Asn
Cys Gln Asn Met
Asp Cys Glu Glu
C17H26N4O11S (494.13187260000007)
Asp Asp Asp Met
C17H26N4O11S (494.13187260000007)
Asp Asp Met Asp
C17H26N4O11S (494.13187260000007)
Asp Glu Cys Glu
C17H26N4O11S (494.13187260000007)
Asp Glu Glu Cys
C17H26N4O11S (494.13187260000007)
Asp Glu Met Thr
C18H30N4O10S (494.16825600000004)
Asp Glu Thr Met
C18H30N4O10S (494.16825600000004)
Asp Met Asp Asp
C17H26N4O11S (494.13187260000007)
Asp Met Glu Thr
C18H30N4O10S (494.16825600000004)
Asp Met Thr Glu
C18H30N4O10S (494.16825600000004)
Asp Thr Glu Met
C18H30N4O10S (494.16825600000004)
Asp Thr Met Glu
C18H30N4O10S (494.16825600000004)
Glu Cys Asp Glu
C17H26N4O11S (494.13187260000007)
Glu Cys Glu Asp
C17H26N4O11S (494.13187260000007)
Glu Asp Cys Glu
C17H26N4O11S (494.13187260000007)
Glu Asp Glu Cys
C17H26N4O11S (494.13187260000007)
Glu Asp Met Thr
C18H30N4O10S (494.16825600000004)
Glu Asp Thr Met
C18H30N4O10S (494.16825600000004)
Glu Glu Cys Asp
C17H26N4O11S (494.13187260000007)
Glu Glu Asp Cys
C17H26N4O11S (494.13187260000007)
Glu Glu Met Ser
C18H30N4O10S (494.16825600000004)
Glu Glu Ser Met
C18H30N4O10S (494.16825600000004)
Glu Met Asp Thr
C18H30N4O10S (494.16825600000004)
Glu Met Glu Ser
C18H30N4O10S (494.16825600000004)
Glu Met Ser Glu
C18H30N4O10S (494.16825600000004)
Glu Met Thr Asp
C18H30N4O10S (494.16825600000004)
Glu Ser Glu Met
C18H30N4O10S (494.16825600000004)
Glu Ser Met Glu
C18H30N4O10S (494.16825600000004)
Glu Thr Asp Met
C18H30N4O10S (494.16825600000004)
Glu Thr Met Asp
C18H30N4O10S (494.16825600000004)
Met Cys Asn Gln
Met Cys Gln Asn
Met Asp Asp Asp
C17H26N4O11S (494.13187260000007)
Met Asp Glu Thr
C18H30N4O10S (494.16825600000004)
Met Asp Thr Glu
C18H30N4O10S (494.16825600000004)
Met Glu Asp Thr
C18H30N4O10S (494.16825600000004)
Met Glu Glu Ser
C18H30N4O10S (494.16825600000004)
Met Glu Ser Glu
C18H30N4O10S (494.16825600000004)
Met Glu Thr Asp
C18H30N4O10S (494.16825600000004)
Met Asn Cys Gln
Met Asn Gln Cys
Met Gln Cys Asn
Met Gln Asn Cys
Met Ser Glu Glu
C18H30N4O10S (494.16825600000004)
Met Thr Asp Glu
C18H30N4O10S (494.16825600000004)
Met Thr Glu Asp
C18H30N4O10S (494.16825600000004)
Asn Cys Met Gln
Asn Cys Gln Met
Asn Met Cys Gln
Asn Met Gln Cys
Asn Gln Cys Met
Asn Gln Met Cys
Gln Cys Met Asn
Gln Cys Asn Met
Gln Met Cys Asn
Gln Met Asn Cys
Gln Asn Cys Met
Gln Asn Met Cys
Ser Glu Glu Met
C18H30N4O10S (494.16825600000004)
Ser Glu Met Glu
C18H30N4O10S (494.16825600000004)
Ser Met Glu Glu
C18H30N4O10S (494.16825600000004)
Thr Asp Glu Met
C18H30N4O10S (494.16825600000004)
Thr Asp Met Glu
C18H30N4O10S (494.16825600000004)
Thr Glu Asp Met
C18H30N4O10S (494.16825600000004)
Thr Glu Met Asp
C18H30N4O10S (494.16825600000004)
Thr Met Asp Glu
C18H30N4O10S (494.16825600000004)
Thr Met Glu Asp
C18H30N4O10S (494.16825600000004)
4-O-methyl-(-)-epicatechin-3-O-beta-glucuronide
C23H26O12 (494.14241960000004)
Palmidin C
Palmidin B
Pimentol
C23H26O12 (494.14241960000004)
Quercetagetin 3'-methylether 7-glucoside
2-O-Galloylsucrose
6-O-Galloylsucrose
1'-O-Galloylsucrose
4'-O-Galloylsucrose
6'-O-Galloylsucrose
[2-[(8S,9R,10S,13S,14S,17R)-9-bromo-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
GADOLINIUM(III) ACETYLACETONATE DIHYDRAT E
C15H28GdO8 (494.10251980000004)
Camostat Mesylate
C21H26N4O8S (494.14712760000003)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
DICHLOROBIS[2-(DI-I-PROPYLPHOSPHINO)ETHYLAMINE]RUTHENIUM (II), MIN
N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]propionamide
(R)-2,2,3,3-Tetrahydro-6,6-bis(4-nitrophenyl)-1,1-spirobi[1H-indene]-7,7-diol
Carbenicillin indanyl
C26H26N2O6S (494.15114960000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea
C18H17F3N10O2S (494.12086980000004)
1-[[2-[[4-(4-Chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea
2,6-Dichloro-4-(2-Piperazin-1-Ylpyridin-4-Yl)-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)benzenesulfonamide
Spectinomycin hydrochloride
C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
96574-01-5
D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors D000970 - Antineoplastic Agents Salvianolic acid A could protect the blood brain barrier through matrix metallopeptidase 9 (MMP-9) inhibition and anti-inflammation. Salvianolic acid A could protect the blood brain barrier through matrix metallopeptidase 9 (MMP-9) inhibition and anti-inflammation.
Patulitrin
N-(5-chloropyrimidin-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]quinolin-4-amine
Mycophenolic acid phenolic glucuronide
C23H26O12-2 (494.14241960000004)
3,4,5-trihydroxy-6-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyoxane-2-carboxylic acid
C21H22N2O10S (494.09951120000005)
3-L-phenylalanyl-AMP
An L-phenylalanine derivative that is the ester obtained by formal condensation of the carboxy group of L-phenylalanine with the 3-hydroxy group of AMP.
N-(3,4-dimethylphenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
[4-[2-(3-Chlorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-pyridin-4-ylmethanone
6-acetyl-5-(2-methoxyphenyl)-7-methyl-2-(3,4,5-trimethoxybenzylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
C26H26N2O6S (494.15114960000005)
N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]benzenesulfonamide
Ethyl 2-[[2-(4,5-dimethoxy-2-nitrobenzoyl)oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
C22H26N2O9S (494.13589460000003)
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-tetrazolyl]acetamide
4-(4-Acetyloxyphenyl)benzoic acid [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester
3-{4-[(E)-2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethyl-benzenesulfonamide
methyl N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alaninate
[(8S,9R,10S)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
2-[(3R,6aR,8S,10aR)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyrimidin-4-ylmethyl)acetamide
2-[(3R,6aS,8S,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
[(8R,9S,10S)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
4-chloro-N-[(2R,3S,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
C22H24ClFN4O4S (494.11907460000003)
4-chloro-N-[(2S,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
C22H24ClFN4O4S (494.11907460000003)
4-chloro-N-[(2S,3S,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
C22H24ClFN4O4S (494.11907460000003)
2-[(3R,6aR,8R,10aR)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
[(8S,9S,10R)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10S)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10R)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
4-chloro-N-[(2S,3R,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
C22H24ClFN4O4S (494.11907460000003)
4-chloro-N-[(2S,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
C22H24ClFN4O4S (494.11907460000003)
4-chloro-N-[(2R,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
C22H24ClFN4O4S (494.11907460000003)
4-chloro-N-[(2R,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
C22H24ClFN4O4S (494.11907460000003)
4-chloro-N-[(2R,3R,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
C22H24ClFN4O4S (494.11907460000003)
2-[(3S,6aS,8R,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
2-[(3S,6aS,8S,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
[(8R,9S,10R)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
methyl 4-[(2,3,4,6-tetra-O-acetyl)-beta-D-glucopyranosyl]coumarate
C23H26O12 (494.14241960000004)
4-(3,4-Dimethoxybenzoyl)-5-(4-ethoxy-3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
(2R)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
C23H26O12 (494.14241960000004)
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
methyl 2-O-(alpha-L-rhamnopyranosyl)-3-O-{[(1,3-dihydroxypropan-2-yl)oxy](hydroxy)phosphoryl}-beta-D-galactopyranoside
C16H31O15P (494.14005060000005)
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3-ethoxyphenyl)benzamide
(2S,3R,4S)-4-[(E)-2-[1-(carboxymethyl)pyridin-1-ium-3-yl]ethenyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
[(1S)-2-[2-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-carboxyethyl]selanyl-1H-imidazol-5-yl]-1-carboxyethyl]-trimethylazanium
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Syn-15-tert-butyl-18-methoxy-5,6,7,9-tetrafluoro-2,11-dithia(3.3)metacyclophane 2,2,11,11-tetraoxide
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
spectinomycin hydrochloride hydrate
A hydrate that is the pentahydrate form of spectinomycin hydrochloride. An antibiotic that is active against gram-negative bacteria and used to treat gonorrhea.
ALDH1A1-IN-2
C25H23ClN4O3S (494.11793180000006)
ALDH1A1-IN-2 is a potent inhibitor of aldehyde dehydrogenase 1a1 (aldh1a1). Aldehyde dehydrogenases (ALDH) constitute a family of enzymes that play a critical role in oxidizing various cytotoxic xenogenic and biogenic aldehydes. ALDH1A1-IN-2 has the potential for the research of cancer, inflammation, or obesity (extracted from patent WO2019089626A1, compound 295)[1].
CCG273441
C26H24ClFN4O3 (494.15208759999996)
CCG273441 is a covalent inhibitor of G protein-coupled receptor (GPCR) kinase 5 (GRK5) with an IC50 value of 3.8 nM. CCG273441 is highly selective to GRK5 over GRK2 (IC50=4.8 μM) by binding Cys474, a GRK5 subfamily-specific residue, as a covalent handle[1].
ML380
C23H25F3N4O3S (494.15993760000003)
ML380 is a potent, subtype-selective, and brain-penetrant positive allosteric modulator (PAM) of M5 mAChR, with EC50s of 190 and 610 nM for human and rat M5, respectively. ML380 exhibits moderate selectivity versus the M1 and M3 mAChR subtypes. ML380 could increase the affinity of ACh for the M5 mAChR[1][2][3].
Uplarafenib
C22H21F3N4O4S (494.12355420000006)
Uplarafenib (B-Raf IN 10) (Compound C09) is a BRAF inhibitor with an IC50 between 50 and 100 nM. Uplarafenib shows antitumor activity[1].
5,7-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
5-ethenyl-15-hydroxy-3,17-dimethoxy-12-(3,4,5-trihydroxy-6-methyloxan-2-yl)-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 3,4,5-trihydroxybenzoate
5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(1s,4as,5s,7as)-7-[(benzoyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H26O12 (494.14241960000004)
2,3-dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylic acid
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
19-ethenyl-25,26-dihydroxy-24-(hydroxymethyl)-21,23,28,29-tetraoxa-4,14-diazaheptacyclo[18.8.1.0²,¹⁸.0⁴,¹⁶.0⁷,¹⁵.0⁸,¹³.0²²,²⁷]nonacosa-2(18),7(15),8,10,12,16-hexaen-3-one
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
C23H26O12 (494.14241960000004)
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
C23H26O12 (494.14241960000004)
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
3-(3,4-dihydroxyphenyl)-2-{[(2e)-3-{2-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl}prop-2-enoyl]oxy}propanoic acid
7-[(benzoyloxy)methyl]-5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C23H26O12 (494.14241960000004)
(2e)-1-(2,4-dihydroxyphenyl)-3-{4-hydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-2h-chromen-3-yl]phenyl}prop-2-en-1-one
(2s)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
C23H26O12 (494.14241960000004)
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(2s,3r,4s,5r,6r)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 3,4,5-trihydroxybenzoate
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(3s,4r,7r,8s,10r,13z)-4,7,8-trihydroxy-13-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-12-methyl-10-(methylsulfanyl)-2-oxa-1,12-diazatricyclo[8.4.0.0³,⁸]tetradec-5-ene-11,14-dione
C22H26N2O9S (494.13589460000003)
3,4a-dichloro-10a-(3,7-dimethyl-6-oxoocta-2,7-dien-1-yl)-6,8-dihydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
12-[(2r,3r,4s,5s)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]oxolan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one
1,2,3,7-tetramethoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
C23H26O12 (494.14241960000004)