Exact Mass: 420.0845136
Exact Mass Matches: 420.0845136
Found 336 metabolites which its exact mass value is equals to given mass value 420.0845136,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bismurrayaquinone A
Bismurrayaquinone A is found in herbs and spices. Bismurrayaquinone A is an alkaloid from roots of Murraya koenigii (curryleaf tree). Alkaloid from roots of Murraya koenigii (curryleaf tree). Bismurrayaquinone A is found in herbs and spices.
Artonol B
Artonol B is found in breadfruit. Artonol B is a constituent of the bark of Artocarpus communis (breadfruit)
Doripenem
Doripenem (common name doripenem monohydrate) is an ultra-broad spectrum injectable antibiotic. It is a beta-lactam and belongs to the subgroup of carbapenems. It was launched by Shionogi Co. of Japan under the brand name Finibax in 2005 and is being marketed outside Japan by Johnson & Johnson. It is particularly active against Pseudomonas aeruginosa. Doripenem is a beta-lactam antibiotic agent belonging to the carbapenem group, with a broad spectrum of bacterial sensitivity. Although doripenem may be quite similar to other related carbapenem agents, the antibiotic includes several divergent properties. For example, doripenem includes a transfiguration of hydroxyethyl group, and in position 4 there is a carbon atom. These differences make the agent more stable against other pathogens. Doripenem inhibits renal dehydropeptidase-1 hydrolysis due to its structure containing a single side chain, 1-beta methyl. Additionally, within the molecular structure a sulfamoylaminomethyl-pyrrolindinylthio group is attached to a side chain giving the molecule increased antibacterial action against gram-negative microbes. In vivo, doripenem inhibits the synthesis of cell walls by attaching itself to penicillin binding proteins, also known as PBPs. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DH - Carbapenems D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Flurbiprofen glucuronide
Flurbiprofen glucuronide is a metabolite of flurbiprofen. Flurbiprofen is a member of the phenylalkanoic acid derivative family of non-steroidal anti-inflammatory drugs (NSAIDs) used to treat the inflammation and pain of arthritis. It is known by the following tradenames: Urbifen marketed by General Pharmaceuticals, Ansaid, marketed by Pfizer, Flurwood by W. Woodward and Froben, by Abbott. Flurbiprofen is also used as an active ingredient in some kinds of throat lozenges. (Wikipedia)
Sulfinpyrazone sulfone
C23H20N2O4S (420.11437200000006)
Sulfinpyrazone sulfone is a metabolite of sulfinpyrazone. Sulfinpyrazone is a uricosuric medication used to treat gout. It also sometimes is used to reduce platelet aggregation by inhibiting degranulation of platelets which reduces the release of ADP and thromboxane. Like other uricosurics, sulfinpyrazone works by competitively inhibiting uric acid reabsorption in the proximal tubule of the kidney. (Wikipedia)
Urolithin C 3-glucuronide
Urolithin C 3-glucuronide belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. BioTransformer predicts that urolithin C 3-glucuronide is a product of urolithin C metabolism via an aromatic-OH-glucuronidation reaction catalyzed by the UDP-glucuronosyltransferase 1-1 (P22309) enzyme (PMID: 30612223).
Darglitazone
C23H20N2O4S (420.11437200000006)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent Darglitazone (CP-86325), a thiazolidinedione, is a potent, selective, and orally active PPAR-γ agonist. Darglitazone is effective in controlling blood glucose and lipid metabolism, and can be used for type II diabetes research[1].
Desethyl kbt-3022
C23H20N2O4S (420.11437200000006)
Etofylline clofibrate
C19H21ClN4O5 (420.12004060000004)
Netobimin
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
10-Chloro-1-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
4-Hydroxy-5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-3H-1,3-thiazol-2-one
C23H20N2O4S (420.11437200000006)
4-methylthiobutyl glucosinolate
4-methylthiobutyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methylthiobutyl glucosinolate can be found in a number of food items such as arrowroot, ohelo berry, winged bean, and buffalo currant, which makes 4-methylthiobutyl glucosinolate a potential biomarker for the consumption of these food products.
Sesamoside
Sesamoside is a natural product found in Pedicularis muscicola, Phlomoides umbrosa, and other organisms with data available. Sesamoside is a iridoid isolated from the aerial part of? Lamiophlomis rotata. Sesamoside has antiodant and antiglycation activities[1]. Sesamoside is a iridoid isolated from the aerial part of? Lamiophlomis rotata. Sesamoside has antiodant and antiglycation activities[1].
5-O-methylhoslundin
3-Demethyldigicitrin
Glabratephrin
5,5,7-trihydroxy-2,3,4,6,8-pentamethoxyflavone|5,7,5-trihydroxy-3,6,8,2,4-pentamethoxyflavone
cassiaside|nor-rubrofusarin-6-O-beta-D-glucopyranoside
5,4-dihydroxy-7-(4-hydroxybenzoyl)-3-methoxyflavone|7-{(4-hydroxybenzoyl)chrysoeriol}|cinerascenone
2-methyl-4-oxo-4H-pyran-3-yl 2-O-(beta-D-apiofuranosyl)-beta-D-glucopyranoside|3-O-[beta-D-apiofuranosyl-(1?2)-beta-D-glucopyranosyl]maltol
(-)-3-hydoxy-2-methyl-4-pyrone 3-O-beta-D-xylopyranosyl-(1?6)-O-beta-D-glucopyranoside
N-Phenyl-N-(4-D-glucosidurono-phenyl)-thioharnstoff|N-Phenyl-N-<4-D-glucosidurono-phenyl>-thioharnstoff|N-Phenyl-N-<4-hydroxy-phenyl>-thioharnstoff-glucuronid|O1-[4-(N-phenyl-thioureido)-phenyl]-beta-D-glucopyranuronic acid|O1-[4-(N-Phenyl-thioureido)-phenyl]-beta-D-glucopyranuronsaeure
C19H20N2O7S (420.09911700000004)
5-O-(beta-D-glucopyranosyl)-6-O-benzoyl-2,5-dihydroxybenzoic acid|shomaside F
5-Hydroxy-3-methoxy-1-O-beta-D-glucopyranosylxanthone
3-((3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Cassiaside2,3,4-Trihydroxy-3,5-dimethoxypropiophenoneGinsenoside Rg4Methyl dihydrojasmonate1-Dehydroxy-23-deoxojessic acidMalvidin-3-galactoside chlorideTropine4,5-Dioxodehydroasimilobine(2R,3R)-3,7-Dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)chroman-4-one
Cassiaside is a naphthopyrone glucoside, shows mixed-type inhibition against BACE1 (IC50=4.45 μM; Ki=9.85 μM). Cassiaside possesses potential anti- Alzheimer's disease (AD) activity[1]. Cassiaside is a naphthopyrone glucoside, shows mixed-type inhibition against BACE1 (IC50=4.45 μM; Ki=9.85 μM). Cassiaside possesses potential anti- Alzheimer's disease (AD) activity[1].
C17H24O12_4H-Pyran-4-one, 2-methyl-3-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]
3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-methylpyran-4-one
3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-methylpyran-4-one_major
Cys Asp Pro Ser
Cys Asp Ser Pro
Cys Pro Asp Ser
Cys Pro Ser Asp
Cys Ser Asp Pro
Cys Ser Pro Asp
Asp Cys Pro Ser
Asp Cys Ser Pro
Asp Asp Asp Gly
Asp Asp Gly Asp
Asp Gly Asp Asp
Asp Pro Cys Ser
Asp Pro Ser Cys
Asp Ser Cys Pro
Asp Ser Pro Cys
Gly Asp Asp Asp
Pro Cys Asp Ser
Pro Cys Ser Asp
Pro Asp Cys Ser
Pro Asp Ser Cys
Pro Ser Cys Asp
Pro Ser Asp Cys
Ser Cys Asp Pro
Ser Cys Pro Asp
Ser Asp Cys Pro
Ser Asp Pro Cys
Ser Pro Cys Asp
Ser Pro Asp Cys
Ile-Phe4Cl-OH
C20H21ClN2O6 (420.10880760000003)
Leu-Phe4Cl-OH
C20H21ClN2O6 (420.10880760000003)
Met-Tyr-OH
C19H20N2O7S (420.09911700000004)
Phe4Cl-Leu-OH
C20H21ClN2O6 (420.10880760000003)
Phe4Cl-Ile-OH
C20H21ClN2O6 (420.10880760000003)
artonol B
Bismurrayaquinone A
doripenem
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DH - Carbapenems D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
2-Methyl-4-oxo-4H-pyran-3-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside
2-(4-(8-BROMO-3-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)PHENYL)-2-METHYLPROPANENITRILE
HCV-086
3-[2-(Perfluorohexyl)ethoxy]-1,2-epoxypropane
C11H9F13O2 (420.03949299999994)
Benzyloxycarbonyl-L-phenylalanine p-nitrophenylester
1-Methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl 2,6-difluorobenzenesulfonate
C21H22F2N2O3S (420.1319126000001)
Benzeneacetic acid, a-(2,4-dinitrophenyl)-2,4-dinitro-,ethyl ester
C16H12N4O10 (420.05534120000004)
3-Isopropoxy-5-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl] benzaldehyde
C23H20N2O4S (420.11437200000006)
N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramide
etofylline clofibrate
C19H21ClN4O5 (420.12004060000004)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D000963 - Antimetabolites D011838 - Radiation-Sensitizing Agents
2,2,4,6,6,8-hexamethyl-4,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetra silocane
C18H28O4Si4 (420.10646080000004)
2,2-[[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]imino]bisethanol
PHENYLTHIOMETHYL TRIPHENYLPHOSPHONIUM CHLORIDE
C25H22ClPS (420.08682920000007)
Tiflamizole
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
L-METHIONINE 4-METHYL-7-COUMARINYLAMIDE TRIFLUOROACETATE
5-(4-TERT-BUTYLBENZYLTHIO)-2-(3-CHLOROBENZYLTHIO)-1,3,4-THIADIAZOLE
C20H21ClN2S3 (420.05553360000005)
2-ethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)azo]-1H-benz[de]isoquinoline-1,3(2H)-dione
3,3-Methylenebis(1-tert-butyl-3-imidazolium Bromide)
3-(1,4,7,10-Tetraazacyclododec-1-yl)-1,2,4-butanetriol hydrochloride (1:4)
C12H28N4O3.4(HCl) (420.12284020000004)
N-[(1R,2R)-2-aMino-1,2-diphenylethyl]-4-(trifluoroMethyl)-BenzenesulfonaMide
C21H19F3N2O2S (420.11192700000004)
(S)-Flurbiprofen-acyl-beta-D-glucuronide min. 98\\%
(4E)-4-[[4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-nitrophenyl)azo]-3-oxobutyramide
7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecan-1-ol
C12H13F13O (420.07587639999997)
Flurbiprofen Acyl-β-D-glucuronide (Mixture of Diastereomers)
(2r)-N-Hydroxy-3-Naphthalen-2-Yl-2-[(Naphthalen-2-Ylsulfonyl)amino]propanamide
C23H20N2O4S (420.11437200000006)
Staphcillin
C17H21N2NaO7S (420.09671160000005)
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
5-[(3,3-Dimethyl-2-oxido-1-triazen-1-yl)oxy]-2,4-dinitrophenyl 4-(methylamino)benzoate
C16H16N6O8 (420.10295759999997)
3-(3,4-Dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e:4,3-f]pyrimidinone
C22H20N4O3S (420.12560500000006)
5-(4-morpholinylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]-2-furancarboxamide
C16H15F3N2O6S (420.06028860000004)
4-[5-[3-(Methylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzenepropanoic acid
C23H20N2O4S (420.11437200000006)
netobimin
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
10-Chloro-1-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
alpha,alpha-Trehalose 6-phosphate(2-)
D004791 - Enzyme Inhibitors
6-O-phosphonato-beta-D-fructofuranosyl alpha-D-glucopyranoside
beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate(2-)
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-1-ium-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
6-phosphonato-beta-D-glucosyl-(1->4)-D-glucose(2-)
(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate
alpha-D-glucopyranosyl-(1->3)-D-fructose 6-phosphate
(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C12H20O14S (420.05737400000004)
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C12H20O14S (420.05737400000004)
[(Z)-[5-methylsulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]amino] sulfate
N-(3-anilino-2-quinoxalinyl)-4-ethoxybenzenesulfonamide
C22H20N4O3S (420.12560500000006)
Methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
4-[[5-Chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
[3-Amino-6-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinyl]-(3,4-dimethoxyphenyl)methanone
C23H20N2O4S (420.11437200000006)
N-(1H-benzimidazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
C22H20N4O3S (420.12560500000006)
1-(2-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
N-(3-acetylphenyl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
C22H20N4O3S (420.12560500000006)
3-[[[4-(4-Methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid
C20H15F3N2O3S (420.07554360000006)
1-(4-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
(2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
C19H17FN2O4S2 (420.06137340000004)
4-(4-morpholinylsulfonyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
2,5-dimethoxy-N-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]benzenesulfonamide
2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
C21H16N4O2S2 (420.07146359999996)
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-5-oxazolecarboxamide
3-[[1-Oxo-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethyl]amino]benzoic acid
C22H20N4O3S (420.12560500000006)
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
C18H20ClF3N2O4 (420.10636260000007)
(2S,3S,4S,5R,6S)-6-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2-[3-[(2-Chlorophenyl)methyl]-2-imino-1-benzimidazolyl]-1-(4-nitrophenyl)ethanone
2,5-anhydro-3-O-(2-O-sulfo-alpha-L-idopyranuronosyl)-D-glucitol
C12H20O14S (420.05737400000004)
2-[5-[(E)-[2-Imino-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
4-(4-Methoxybenzoyl)-5-(2-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
[4-[1-Hydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)propyl]phenyl] hydrogen sulate
3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
beta-D-GlcpA3S-(1->3)-2,5-anhydro-D-Glc-OH
C12H20O14S (420.05737400000004)
alpha-L-IdopA-(1->3)-2,5-anhydro-D-Glc-OH4S
C12H20O14S (420.05737400000004)
2-[3-[(2R)-5-[(6-bromo-1H-indol-3-yl)methyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
2-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-1,3,6,7-tetrahydroxyxanthen-9-one
(4S,5R,6R)-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
alpha,alpha-Trehalose 6-phosphate(2-)
Dianion of alpha,alpha-trehalose 6-phosphate.
sucrose 6(F)-phosphate(2-)
Dianion of sucrose 6(F)-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
Lactose 6-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of lactose 6-phosphate; major species at pH 7.3.
alpha-Maltose 6-phosphate(2-)
Dianion of maltose 6-phosphate arising from deprotonation of both OH groups of the phosphate.
Glucoerucin(1-)
A thia-alkylglucosinolate that has a 4-(methylsulfanyl)butyl side chain attached to the sulfonated oxime group.
sucrose 6(G)-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of sucrose 6(G)-phosphate; major species at pH 7.3.
mannose-1D-myo-inositol 1-phosphate(2-)
A phosphate monoester dianion obtained by deprotonation of the phosphate OH groups of mannose-1D-myo-inositol 1-phosphate; major species at pH 7.3.
AMPK activator 13
AMPK activator 13 is a potent activator of AMPK. AMPK activator 13 inhibits mitotic clonal expansion of 3T3-L1 cells by activating AMPK pathway and enhances cell mitochondrial oxygen consumption rate. AMPK activator 13 can be used in study obesity[1].
AMPK activator 4
AMPK activator 4 is a potent AMPK activator without inhibition of mitochondrial complex I. AMPK activator 4 selectively activates AMPK in the muscle tissues. AMPK activator 4 dose-dependently improves glucose tolerance in normal mice, and significantly lowers fasting blood glucose level and ameliorates insulin resistance in db/db diabetic mice. Anti-hyperglycemic effect[1].
KRAS G12D inhibitor 14
C20H19F3N4OS (420.12316000000004)
KRAS G12D inhibitor 14 is a potent KRAS G12D inhibitor with a KD of 33 nM for binding to KRAS G12D protein. KRAS G12D inhibitor 14 decreases the active form of KRAS G12D (KRAS G12D-GTP) but not KRAS G13D[1].
SirReal2
SirReal2 is a potent, isotype-selective Sirt2 inhibitor with an IC50 value of 140?nM and has very little effect on the activities of Sirt3-5. SirReal2 leads to tubulin hyperacetylation in HeLa cells and induces destabilization of the checkpoint protein BubR1[1].
10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,19-heptaene-2,8-dione
1,3-dihydroxy-7-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
methyl (1s,2r,4s,5r,6r,10s)-5,6-dihydroxy-2-methyl-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-ene-7-carboxylate
methyl (1s,2r,4s,5r,6r,10s)-5,6-dihydroxy-2-methyl-10-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-ene-7-carboxylate
(1s,4as,6s,7r,7as)-6-hydroxy-4-(methoxycarbonyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-7-carboxylic acid
3-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyloxy)-5-formyl-4,6-dihydroxy-2-methylbenzoic acid
3-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-methylpyran-4-one
(2s,3r,4r,5s)-5-[2-(3,5-dihydroxybenzoyl)-3-hydroxyphenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl acetate
(4'r,9s)-5',5'-dimethyl-2',4-dioxo-2-phenyl-8h-spiro[furo[2,3-h]chromene-9,3'-oxolan]-4'-yl acetate
(1s,12as,13r,14r,15ar)-1-ethyl-13-hydroxy-14-iodo-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one
C18H29IO3 (420.11613539999996)
methyl (1s,2s,3s,7s,9s,11r)-11-hydroxy-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10,12-trioxatricyclo[7.2.1.0²,⁷]dodec-5-ene-6-carboxylate
(19s)-19-ethyl-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl acetate
10-methoxy-20-o-acetylcamptothecin
{"Ingredient_id": "HBIN000160","Ingredient_name": "10-methoxy-20-o-acetylcamptothecin","Alias": "NA","Ingredient_formula": "C23H20N2O6","Ingredient_Smile": "CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,6-di-o-p-hydroxybenzoyl-β-d-glucopyra-noside
{"Ingredient_id": "HBIN001887","Ingredient_name": "1,6-di-o-p-hydroxybenzoyl-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C20H20O10","Ingredient_Smile": "C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC=C(C=C3)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5766","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,4'-trihydroxy dihydroflavonol-3-o-α-l-arabinofuranoside
{"Ingredient_id": "HBIN011234","Ingredient_name": "5,7,4'-trihydroxy dihydroflavonol-3-o-\u03b1-l-arabinofuranoside","Alias": "NA","Ingredient_formula": "C20H20O10","Ingredient_Smile": "C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21690","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6beta,7beta-epoxy-8-epi-splendoside
{"Ingredient_id": "HBIN012244","Ingredient_name": "6beta,7beta-epoxy-8-epi-splendoside","Alias": "NA","Ingredient_formula": "C17H24O12","Ingredient_Smile": "COC(=O)C1=COC(C2C1C3C(C2(CO)O)O3)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "420.4 g/mol","OB_score": "11.85768748","CAS_id": "NA","SymMap_id": "SMIT10651","TCMID_id": "NA","TCMSP_id": "MOL009532","TCM_ID_id": "NA","PubChem_id": "11166049","DrugBank_id": "NA"}
acetylannulatophenonoside
{"Ingredient_id": "HBIN014448","Ingredient_name": "acetylannulatophenonoside","Alias": "NA","Ingredient_formula": "C20H20O10","Ingredient_Smile": "CC(=O)OC1C(OC(C1O)OC2=CC=CC(=C2C(=O)C3=CC(=CC(=C3)O)O)O)CO","Ingredient_weight": "420.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "321","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102463820","DrugBank_id": "NA"}
5-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-2-hydroxybenzoic acid
n-{3-[(2r,5r)-5-[(6-bromo-1h-indol-3-yl)methyl]-3,6-dihydroxy-2,5-dihydropyrazin-2-yl]propyl}guanidine
(2s,3s,5s)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl 4-hydroxybenzoate
3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}-4-methoxy-4-oxobutanoic acid
(4's,9s)-5',5'-dimethyl-2',4-dioxo-2-phenyl-8h-spiro[furo[2,3-h]chromene-9,3'-oxolan]-4'-yl acetate
[3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetic acid
methyl 4a,7a-dihydroxy-7-methyl-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,6h,7h-cyclopenta[c]pyran-4-carboxylate
2-chloro-1,6,8-trihydroxy-7-(1-hydroxyhexyl)-3-methoxyanthracene-9,10-dione
C21H21ClO7 (420.09757460000003)
5,7-dihydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,8-trimethoxychromen-4-one
methyl (1s,4as,7r,7as)-4a,7a-dihydroxy-7-methyl-5-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,6h,7h-cyclopenta[c]pyran-4-carboxylate
1-hydroxy-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
2-hydroxy-3-methoxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
[6-(3-chloro-6-hydroxy-4-methoxy-2-propylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate
2-chloro-1,3,6,8-tetrahydroxy-7-(1-methoxyhexyl)anthracene-9,10-dione
C21H21ClO7 (420.09757460000003)
5-hydroxy-3-methoxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
methyl (1s,4ar,7s,7ar)-4a-hydroxy-7-(hydroxymethyl)-5-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(4'r,9r)-5',5'-dimethyl-2',4-dioxo-2-phenyl-8h-spiro[furo[2,3-h]chromene-9,3'-oxolan]-4'-yl acetate
3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-methylpyran-4-one
methyl 11-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10,12-trioxatricyclo[7.2.1.0²,⁷]dodec-5-ene-6-carboxylate
2-hydroxy-3-{[3,4,5-trihydroxy-6-({[3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy}methyl)oxan-2-yl]oxy}pyran-4-one
1-ethyl-13-hydroxy-14-iodo-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one
C18H29IO3 (420.11613539999996)
2-chloro-1,6,8-trihydroxy-7-[(1s)-1-hydroxyhexyl]-3-methoxyanthracene-9,10-dione
C21H21ClO7 (420.09757460000003)
2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s)-3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy}methyl)oxan-2-yl]oxy}pyran-4-one
(1s,4s,5r,9r,11s,14s,15s,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,8,12,18-tetrone
3,3'-dimethyl-9h,9'h-[2,2'-bicarbazole]-1,1',4,4'-tetrone
n-(3-{5-[(6-bromo-1h-indol-3-yl)methyl]-3,6-dihydroxy-2,5-dihydropyrazin-2-yl}propyl)guanidine
(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(1r,4s,5s,11r,14r,15s,18s,19s)-5,15,19-trihydroxy-11-(methylsulfanyl)-21-thia-3,13-diazahexacyclo[16.2.1.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-6,8,16-triene-2,12-dione
4-{[(1r,4as,6s,8ar)-6-bromo-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-2,5-dihydroxybenzaldehyde
(4's)-5',5'-dimethyl-2',4-dioxo-2-phenyl-8h-spiro[furo[2,3-h]chromene-9,3'-oxolan]-4'-yl acetate
3-acetyl-2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]furo[3,2-c]pyran-4-one
(1'r,2s,3r,4s,6r,10's,13's)-3,4,7'-trihydroxy-6-methyl-2',9'-dioxo-12',15'-dioxaspiro[oxane-2,11'-tetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadecane]-3',5',7'-trien-13'-ylacetic acid
4-(3-acetyl-4,6-dihydroxy-2-methoxyphenyl)-1,8-dihydroxy-3-methyl-10h-anthracen-9-one
19-ethyl-7-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl acetate
5-hydroxy-3-methoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one
4-[5-(acetyloxy)-8,8-dimethyl-4-oxopyrano[3,2-g]chromen-3-yl]phenyl acetate
2-hydroxy-3-methoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
methyl (1s,2s,3s,7s,9s,11s)-11-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10,12-trioxatricyclo[7.2.1.0²,⁷]dodec-5-ene-6-carboxylate
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one
(3s)-3-{[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}-4-methoxy-4-oxobutanoic acid
1-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione
5',5'-dimethyl-2',4-dioxo-2-phenyl-8h-spiro[furo[2,3-h]chromene-9,3'-oxolan]-4'-yl acetate
5,7-dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3,6,8-trimethoxychromen-4-one
[(2s,3e,4s)-3-(2-hydroxyethylidene)-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetic acid
10-hydroxy-16,17-dimethoxy-21-methylidene-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),3,8,10,14,16,18-heptaen-12-one
3-acetyl-2-(3,4-dihydroxyphenyl)-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]furo[3,2-c]pyran-4-one
4-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-1,8-dihydroxy-3-methyl-10h-anthracen-9-one
4,5',8'-trihydroxy-6-methoxy-2,3'-dimethyl-[1,2'-binaphthalene]-1',4',5,8-tetrone
methyl (1s,2s,4s,5s,6s,7s)-5-hydroxy-5-(hydroxymethyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-ene-10-carboxylate
6-hydroxy-4-(methoxycarbonyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-7-carboxylic acid
5,15,19-trihydroxy-11-(methylsulfanyl)-21-thia-3,13-diazahexacyclo[16.2.1.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-6,8,16-triene-2,12-dione
(1s,12ar,13r,14r,15ar)-1-ethyl-13-hydroxy-14-iodo-1h,4h,5h,6h,7h,8h,9h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one
C18H29IO3 (420.11613539999996)
1,3-dihydroxy-7-methoxy-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
methyl 5,6-dihydroxy-2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-ene-7-carboxylate
21-hydroxy-9,17-dimethoxy-6-oxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),3,8,10,13,15(20),17-heptaene-2,7,12,16,19-pentone
methyl (1s,2s,4s,5r,6s,7s)-5-hydroxy-5-(hydroxymethyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-ene-10-carboxylate
5-{[(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid
1-hydroxy-7-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
5,7-dihydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-3,6,8-trimethoxychromen-4-one
(6r)-10-hydroxy-16,17-dimethoxy-21-methylidene-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),3,8,10,14,16,18-heptaen-12-one
3,4,7'-trihydroxy-6-methyl-2',9'-dioxo-12',15'-dioxaspiro[oxane-2,11'-tetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadecane]-3',5',7'-trien-13'-ylacetic acid
2-(4,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one
methyl 5-hydroxy-5-(hydroxymethyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-ene-10-carboxylate
2-chloro-1,3,6,8-tetrahydroxy-7-[(1s)-1-methoxyhexyl]anthracene-9,10-dione
C21H21ClO7 (420.09757460000003)