Exact Mass: 494.1168
Exact Mass Matches: 494.1168
Found 450 metabolites which its exact mass value is equals to given mass value 494.1168
,
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
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.
6-{[2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
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).
6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
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
Carbenicillin indanyl
Salvianolic acid A
Belinostat glucuronide
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.
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
Hibifolin
Hibifolin is a natural product found in Helicteres isora, Abelmoschus manihot, and Sedum album with data available. Hibifolin, a flavonol glycoside, is a potential inhibitor of adenosine deaminase (ADA), with a Ki of 49.92 μM. Hibifolin protects neurons against beta-amyloid-induced neurotoxicity[1][2]. Hibifolin, a flavonol glycoside, is a potential inhibitor of adenosine deaminase (ADA), with a Ki of 49.92 μM. Hibifolin protects neurons against beta-amyloid-induced neurotoxicity[1][2].
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
1-Galloyl-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside
Dihydroprudomenin
1-Galloyl-??-D-glucopyranosyl-(1鈥樏傗垎4)-??-D-galactopyranoside
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
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)
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
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
3beta,4-dihydroxy-7,3-dimethoxyflavonone-5-O-beta-D-glucopyranoside|irisdichotin A
3,3-dimethoxy-4-O-beta-D-xylopyranosylellagic acid
3,5,4-trihydroxy-7,3-dimethoxyflavanone 3-O-beta-D-glucopyranoside
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
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
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
Nodakenetin-Glucose-malonic acid
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_(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
Cys Asp Glu Glu
Cys Glu Asp Glu
Cys Glu Glu Asp
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
Asp Asp Asp Met
Asp Asp Met Asp
Asp Glu Cys Glu
Asp Glu Glu Cys
Asp Met Asp Asp
Glu Cys Asp Glu
Glu Cys Glu Asp
Glu Asp Cys Glu
Glu Asp Glu Cys
Glu Glu Cys Asp
Glu Glu Asp Cys
Met Cys Asn Gln
Met Cys Gln Asn
Met Asp Asp Asp
Met Asn Cys Gln
Met Asn Gln Cys
Met Gln Cys Asn
Met Gln Asn Cys
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
4-O-methyl-(-)-epicatechin-3-O-beta-glucuronide
Palmidin C
Palmidin B
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
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
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
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
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
Myricetin 3-O-glucuronide
A myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 3-position.
3,4,5-trihydroxy-6-[[(E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoyl]amino]oxyoxane-2-carboxylic 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.
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-(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
methyl N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alaninate
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
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
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-[(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
myricetin 5-O-glucuronide
A myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 5-position.
myricetin 7-O-glucuronide
A myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 7-position.
methyl 4-[(2,3,4,6-tetra-O-acetyl)-beta-D-glucopyranosyl]coumarate
(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-[[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
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
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
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
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
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
(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
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
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
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-3-{[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
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
1-o-(e)-caffeoyl-3-o-galloyl-β-d-glucopyra-nose
{"Ingredient_id": "HBIN002898","Ingredient_name": "1-o-(e)-caffeoyl-3-o-galloyl-\u03b2-d-glucopyra-nose","Alias": "NA","Ingredient_formula": "C22H22O13","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-(e)-caffeoyl-4-o-galloyl-β-d-glucopyra-nose
{"Ingredient_id": "HBIN009316","Ingredient_name": "3-o-(e)-caffeoyl-4-o-galloyl-\u03b2-d-glucopyra-nose","Alias": "NA","Ingredient_formula": "C22H22O13","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OC2C(C(OC(C2OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2903","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,3',4'-tetrahydroxy-8-methoxyflavonol-3-o-beta-d-galactoside
{"Ingredient_id": "HBIN011189","Ingredient_name": "5,7,3',4'-tetrahydroxy-8-methoxyflavonol-3-o-beta-d-galactoside","Alias": "5,7,3',4'-tetrahydroxy-8-methoxyflavonol-3-o-\u03b2-d-galactoside","Ingredient_formula": "C22H22O13","Ingredient_Smile": "COC1=C(C=C(C2=C1OC(=C(C2=O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32038;21111","TCMSP_id": "NA","TCM_ID_id": "NA","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"}