Exact Mass: 494.1482
Exact Mass Matches: 494.1482
Found 500 metabolites which its exact mass value is equals to given mass value 494.1482
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Harpagoside
Harpagoside is a terpene glycoside. Harpagoside is a natural product found in Verbascum lychnitis, Verbascum sinuatum, and other organisms with data available. See also: Harpagophytum procumbens root (part of); Harpagophytum zeyheri root (part of). Origin: Plant; SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids Harpagoside is isolated from Harpagophytum procumbens. Harpagoside has inhibitory effects on COX-1 and COX-2 activity and inhibits NO production[1]. Harpagoside is isolated from Harpagophytum procumbens. Harpagoside has inhibitory effects on COX-1 and COX-2 activity and inhibits NO production[1].
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
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.
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
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
4-O-methyl-(-)-epicatechin-3-O-beta-glucuronide is a cocoa metabolite from gut microflora. It is found n urine.
Phenolphthalein glucuronide
3,6,9,12-Tetraazatetradecanedioic acid, 3,6,9,12-tetrakis(carboxymethyl)-
D064449 - Sequestering Agents > D002614 - Chelating Agents
Carbenicillin indanyl
2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Harpagoside
Salvianolic acid A
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.
7,8,4-Trihydroxy-3,5-dimethoxyflavanone 4-O-glucoside
1-Galloyl-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside
Dihydroprudomenin
combretastatin A-1 2-beta-D-glucoside|combretastatin A-1 2-O-beta-D-glucopyranoside
1-Galloyl-??-D-glucopyranosyl-(1鈥樏傗垎4)-??-D-galactopyranoside
3beta-hydroxystilpnotomentolide-8-O-(5-acetoxysenecioate)
3,5,4-trihydroxy-6,7-dimethoxyflavone 3-O-glucoside
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
4-[4-(Tetra-O-acetyl-beta-D-glucopyranosyloxy)-phenyl]-butan-2-on|4-[4-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-phenyl]-butan-2-one|raspberry ketone tetra-O-acetyl-beta-D-glucopyranoside
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)
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
beta-D-glucopyranosyl-(6->1)-beta-D-glucopyranosyl 3,4,5-trihydroxybenzoate
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
3beta,4-dihydroxy-7,3-dimethoxyflavonone-5-O-beta-D-glucopyranoside|irisdichotin A
3,5,4-trihydroxy-7,3-dimethoxyflavanone 3-O-beta-D-glucopyranoside
(5S)-1,7-bis-(3,4-dihydroxyphenyl)-5-hydroxyheptane-3-on-5-O-beta-D-xylopyranoside|oregonin
5,4-dimethoxy-7,3,5-trihydroxyflavanone-3-O-rhamnopyranoside
(S)-7,8-Di-Me ether,2-O-beta-D-glucopyranoside-2,5,5,7,8-Pentahydroxyflavanone
1,4,5,8,9-Pentahydroxy-2,6-dimethyl[2,9-bianthracene]-9,10(9H,10H)-dione
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
8alpha-(5-acetoxy senecioyloxy)-3-beta-hydroxy-10alphaH-hirsutinolide-13-O-acetate|8alpha-<5-acetoxy senecioyloxy>-3-beta-hydroxy-10alphaH-hirsutinolide-13-O-acetate
5-O-beta-D-glucopyranosyl-6-[(1E,3E)-6-hydroxy-1,3-hexadienyl]-2-hydroxymethyl-thieno[2,3-e]isobenzofuran-8(6H)-one|echinothiophene
3-acetyl-(-)-epicatechin 7-O-beta-D-glucopyranoside
(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)octan-1-imine
Nodakenetin-Glucose-malonic acid
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate
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_(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
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate_minor
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate_major
Cys Cys Asn Arg
Cys Cys Arg Asn
Cys Asp Glu Glu
Cys Glu Asp Glu
Cys Glu Glu Asp
Cys Glu Phe Pro
Cys Glu Ile Met
Cys Glu Leu Met
Cys Glu Met Ile
Cys Glu Met Leu
Cys Glu Pro Phe
Cys Phe Glu Pro
Cys Phe Pro Glu
Cys Ile Glu Met
Cys Ile Met Glu
Cys Leu Glu Met
Cys Leu Met Glu
Cys Met Glu Ile
Cys Met Glu Leu
Cys Met Ile Glu
Cys Met Leu Glu
Cys Met Asn Gln
Cys Met Gln Asn
Cys Asn Cys Arg
Cys Asn Met Gln
Cys Asn Gln Met
Cys Asn Arg Cys
Cys Pro Glu Phe
Cys Pro Phe Glu
Cys Gln Met Asn
Cys Gln Asn Met
Cys Arg Cys Asn
Cys Arg Asn Cys
Asp Cys Glu Glu
Asp Asp Asp Met
Asp Asp Met Asp
Asp Glu Cys Glu
Asp Glu Glu Cys
Asp Glu Met Thr
Asp Glu Thr Met
Asp Met Asp Asp
Asp Met Glu Thr
Asp Met Met Val
Asp Met Thr Glu
Asp Met Val Met
Asp Thr Glu Met
Asp Thr Met Glu
Asp Val Met Met
Glu Cys Asp Glu
Glu Cys Glu Asp
Glu Cys Phe Pro
Glu Cys Ile Met
Glu Cys Leu Met
Glu Cys Met Ile
Glu Cys Met Leu
Glu Cys Pro Phe
Glu Asp Cys Glu
Glu Asp Glu Cys
Glu Asp Met Thr
Glu Asp Thr Met
Glu Glu Cys Asp
Glu Glu Asp Cys
Glu Glu Met Ser
Glu Glu Ser Met
Glu Phe Cys Pro
Glu Phe Pro Cys
Glu Ile Cys Met
Glu Ile Met Cys
Glu Leu Cys Met
Glu Leu Met Cys
Glu Met Cys Ile
Glu Met Cys Leu
Glu Met Asp Thr
Glu Met Glu Ser
Glu Met Ile Cys
Glu Met Leu Cys
Glu Met Ser Glu
Glu Met Thr Asp
Glu Pro Cys Phe
Glu Pro Phe Cys
Glu Ser Glu Met
Glu Ser Met Glu
Glu Thr Asp Met
Glu Thr Met Asp
Phe Cys Glu Pro
Phe Cys Pro Glu
Phe Glu Cys Pro
Phe Glu Pro Cys
Phe Pro Cys Glu
Phe Pro Glu Cys
Ile Cys Glu Met
Ile Cys Met Glu
Ile Glu Cys Met
Ile Glu Met Cys
Ile Met Cys Glu
Ile Met Glu Cys
Leu Cys Glu Met
Leu Cys Met Glu
Leu Glu Cys Met
Leu Glu Met Cys
Leu Met Cys Glu
Leu Met Glu Cys
Met Cys Asn Gln
Met Cys Gln Asn
Met Asp Asp Asp
Met Asp Glu Thr
Met Asp Thr Glu
Met Glu Asp Thr
Met Glu Glu Ser
Met Glu Ser Glu
Met Glu Thr Asp
Met Asn Cys Gln
Met Asn Gln Cys
Met Gln Cys Asn
Met Gln Asn Cys
Met Ser Glu Glu
Met Thr Asp Glu
Met Thr Glu Asp
Asn Cys Cys Arg
Asn Cys Met Gln
Asn Cys Gln Met
Asn Cys Arg Cys
Asn Met Cys Gln
Asn Met Gln Cys
Asn Gln Cys Met
Asn Gln Met Cys
Asn Arg Cys Cys
Pro Cys Glu Phe
Pro Cys Phe Glu
Pro Glu Cys Phe
Pro Glu Phe Cys
Pro Phe Cys Glu
Pro Phe Glu 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
Arg Cys Cys Asn
Arg Cys Asn Cys
Arg Asn Cys Cys
Ser Glu Glu Met
Ser Glu Met Glu
Ser Met Glu Glu
Thr Asp Glu Met
Thr Asp Met Glu
Thr Glu Asp Met
Thr Glu Met Asp
Thr Met Asp Glu
Thr Met Glu Asp
4-O-methyl-(-)-epicatechin-3-O-beta-glucuronide
Palmidin C
Palmidin B
2-O-Galloylsucrose
6-O-Galloylsucrose
1'-O-Galloylsucrose
4'-O-Galloylsucrose
6'-O-Galloylsucrose
4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl 2,3-dihydroxy-2-(4-hydroxybenzyl)butanoate
WZ4002
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Toceranib phosphate
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
[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
Camostat Mesylate
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
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
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
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.
N-(5-chloropyrimidin-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]quinolin-4-amine
4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-dimethyl-9-oxoimidazo[1,2-a]purin-7-yl]-2-(methoxycarbonylamino)butanoic acid
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.
15-O-propionylbruceolide
A quassinoid that is the 15-O-propionyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.
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
N-[4-[cyano-[3-[2-(4-morpholinyl)ethylamino]-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide
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
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
2-[(3S,6aS,8R,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
[(8S,9R,10S)-9-[4-[(E)-2-phenylethenyl]phenyl]-6-thiophen-2-ylsulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
2-[(3S,6aR,8R,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3R,6aS,8R,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3S,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
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
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
2-[(3R,6aR,8S,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]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
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
4-chloro-N-[(2R,3S,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
4-chloro-N-[(2S,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
4-chloro-N-[(2S,3S,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
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
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
4-chloro-N-[(2S,3R,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
4-chloro-N-[(2S,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
4-chloro-N-[(2R,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
4-chloro-N-[(2R,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
4-chloro-N-[(2R,3R,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3S,6aR,8S,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(3R,6aR,8R,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
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
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
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
3,4,5-trihydroxy-6-[(14-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl)oxy]oxane-2-carboxylic acid
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
[(4aS,5R,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
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.
2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
ALDH1A1-IN-2
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
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
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
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
3-hydroxy-2-{[(1e)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(2-oxo-2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}ethyl)amino]cyclohex-2-en-1-ylidene]amino}propanoic acid
(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
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
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
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
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
(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
12-[(acetyloxy)methyl]-5-hydroxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-11-en-10-yl 4-(acetyloxy)-3-methylbut-2-enoate
(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
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
4-{4-[3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-hexahydrofuro[3,4-c]furan-1-yl}benzene-1,2-diol
6-[5-(1,3-dimethyl-2,4-dioxopteridin-6-yl)-4-methyl-5-oxopentanoyl]-1,3-dimethylpteridine-2,4-dione
8-{3,4a-dichloro-6,8-dihydroxy-2,2-dimethyl-5,10-dioxo-3h,4h-naphtho[2,3-b]pyran-10a-yl}-2,6-dimethylocta-2,6-dienal
4-O-methylpaeoniflorin
{"Ingredient_id": "HBIN010793","Ingredient_name": "4-O-methylpaeoniflorin","Alias": "NA","Ingredient_formula": "C24H30O11","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)OC","Ingredient_weight": "494.5 g/mol","OB_score": "25.70632536","CAS_id": "NA","SymMap_id": "SMIT08816","TCMID_id": "33122","TCMSP_id": "MOL007368","TCM_ID_id": "NA","PubChem_id": "46882921","DrugBank_id": "NA"}
4-o-methyl-paeoniflorin
{"Ingredient_id": "HBIN010794","Ingredient_name": "4-o-methyl-paeoniflorin","Alias": "NA","Ingredient_formula": "C24H30O11","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)OC","Ingredient_weight": "494.5 g/mol","OB_score": "25.70632536","CAS_id": "NA","SymMap_id": "SMIT08529","TCMID_id": "NA","TCMSP_id": "MOL007011","TCM_ID_id": "NA","PubChem_id": "46882921","DrugBank_id": "NA"}
ajugol; 6-o-(4-hydroxy-e-cinnamoyl)
{"Ingredient_id": "HBIN014996","Ingredient_name": "ajugol; 6-o-(4-hydroxy-e-cinnamoyl)","Alias": "NA","Ingredient_formula": "C24H30O11","Ingredient_Smile": "NA","Ingredient_weight": "494.49","OB_score": "NA","CAS_id": "124168-05-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7087","PubChem_id": "NA","DrugBank_id": "NA"}
artabitrycinol
{"Ingredient_id": "HBIN016910","Ingredient_name": "artabitrycinol","Alias": "NA","Ingredient_formula": "C27H26O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
artabotrycinol
{"Ingredient_id": "HBIN016918","Ingredient_name": "artabotrycinol","Alias": "NA","Ingredient_formula": "C27H26O9","Ingredient_Smile": "C1=CC2=C(C=C1C=CCO)OC(C(O2)CO)C3=CC4=C(C=C3)OC(C(O4)CO)C5=CC(=C(C=C5)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1776","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}