Exact Mass: 420.1355
Exact Mass Matches: 420.1355
Found 500 metabolites which its exact mass value is equals to given mass value 420.1355
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isorhapontin
Isorhapontin is a stilbenoid and a glycoside. Isorhapontin is a natural product found in Rheum undulatum, Veratrum taliense, and other organisms with data available.
Melampodin A
Glycyphyllin
Rose oxide (cis)
Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1]. Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1].
2',4',6'-Trihydroxydihydrochalcone 2'-glucoside
2,4,6-Trihydroxydihydrochalcone 2-glucoside is found in pomes. 2,4,6-Trihydroxydihydrochalcone 2-glucoside occurs in Malus species. Occurs in Malus subspecies 2,4,6-Trihydroxydihydrochalcone 2-glucoside is found in malus (crab apple) and pomes.
2',4',6'-Trihydroxydihydrochalcone 4'-glucoside
2,4,6-Trihydroxydihydrochalcone 4-glucoside is found in pomes. 2,4,6-Trihydroxydihydrochalcone 4-glucoside occurs in Malus species. Occurs in Malus subspecies 2,4,6-Trihydroxydihydrochalcone 4-glucoside is found in malus (crab apple) and pomes.
Bikoeniquinone A
Bikoeniquinone A is found in herbs and spices. Bikoeniquinone A is an alkaloid from roots of Murraya koenigii (curryleaf tree) (Rutaceae). Alkaloid from roots of Murraya koenigii (curryleaf tree) (Rutaceae). Bikoeniquinone A is found in herbs and spices.
E-3179
E-3179 or Losartan carboxaldehyde is a CYP3A4 or CYP2C9 metabolite of Losartan. E-3179 belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. E-3179 is also classified as a biphenyltetrazole. E-3179 is a Losartan intermediate aldehyde that is eventually converted via CYP450 oxidation to Losartan carboxylate (E3174) which is pharmacologically more active than Losartan (PMID: 7736913). E-3179 is only found in individuals who have consumed the drug Losartan. Losartan is an angiotensin converting enzyme inhibitor used to treat hypertension.
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)
(2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(S)-Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)pyrimidine-5-carboxylate
4H-Pyrido(1,2-a)pyrimidin-4-one, 9-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)-3-(1H-tetrazol-5-yl)-
Etofylline clofibrate
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
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].
Rhaponticin
Trans-rhaponticin is a rhaponticin in which the double bond adopts a trans-configuration. It possesses a range of pharmacological activities including antitumour, antiinflammatory, antilipemic and neuroprotective activities. It has a role as an anti-inflammatory agent, a plant metabolite, a neuroprotective agent, an EC 2.3.1.85 (fatty acid synthase) inhibitor, an antineoplastic agent, an apoptosis inducer, an angiogenesis inhibitor, a hypoglycemic agent, an anti-allergic agent and an antilipemic drug. Rhapontin is a natural product found in Rheum compactum, Rheum hotaoense, and other organisms with data available. A rhaponticin in which the double bond adopts a trans-configuration. It possesses a range of pharmacological activities including antitumour, antiinflammatory, antilipemic and neuroprotective activities. Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1]. Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1].
confusoside
4-Methoxy-3,3,5-trihydroxystilbene 3-O-beta-D-glucopyranoside
5-O-methylhoslundin
Glabratephrin
7-acetyl-8-hydroxy-6-methylnaphthalen-1-yl 6-O-acetyl-beta-D-glucopyranoside|hastatuside B|nepodin-8-yl beta-D-(6-O-acetyl)glucopyranoside
2,6-dihydroxy-3,5-dimethyl-4-(beta-D-glucopyranosyloxy)benzophenone
((9Xi,10Xi)-4,5,9,10-Tetrahydroxy-7-methyl-9,10-dihydro-[2]anthryl)-alpha-L-rhamnopyranosid|((9Xi,10Xi)-4,5,9,10-tetrahydroxy-7-methyl-9,10-dihydro-[2]anthryl)-alpha-L-rhamnopyranoside
3,4-dihydroxy-3-(4-hydroxy-3,5-dimethoxy-benzyl)-4-(4-hydroxy-3-methoxy-benzyl)-dihydro-furan-2-one|Dihydroxy-thujaplicatin-methylaether
(+)-6-O-(alpha-D-ribofuranosyl)-3,4-dihydro-3,6,9-trihydroxy-8-methoxy-3-methylanthracen-1(2H)-one|asperflavin ribofuranoside
2,4-dihydroxy-3,5-dimethyl-6-(beta-D-glucopyranosyloxy)benzophenone
4-hydroxymethyl-2-methoxyphenyl 6-O-benzoyl-beta-D-glucopyranoside
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
3,4,5-trihydroxy-2-methoxy-9,10-dihydrophenanthrene-4-O-beta-D-glucopyranoside|marylaurencinoside A
(1S,3R,5R,7S,8S,9S)-5,8-dihydroxy-3-ethoxy-1-isovaleroxyvalechlorine|chlorovaltrate C
(2S)-5,7,4-trihydroxyflavan-5-O-beta-D-glucopyranoside
4-methoxy-2,5,9R-trihydroxy-9,10-dihydrophenanthrene 2-O-beta-D-glucopyranoside
1-(4-hydroxy-2,5-dimethylphenyl)-6-(p-hydroxybenzoyl)-beta-D-glucopyranose|dunnianoside C
(1S,5R,7S,8S,9S)-7-acetoxy-10-chloro-11-ethoxy-5-hydroxy-1-isovaleroxy-5,6-dihydrovaltrate chlorohydrin|chlorovaltrate I
14-hydroxy-8-desacyl-2,3-dehydrovernonataloide-8-O-methacrylate
8alpha-[4-hydroxymethacryloyloxy]-10alpha-hydroxy-isohirsutinolide 13-O-acetate
9alpha-acetoxy-4beta,15-epoxymiller-1(10)Z-enolide
vernocinerolide-8-O-(4-hydroxymethacrylate)|vernocinerolide-8-O-<4-hydroxymethacrylate>
Ala Asp Ser Glu
Rhapontigenin 3-O-glucoside
E-4,5-Dihydroxy-3-methoxy-3-glucopyranosylstilbene
3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid
methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate
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]
(2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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
(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid [IIN-based on: CCMSLIB00000847816]
(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid [IIN-based: Match]
3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one [IIN-based on: CCMSLIB00000845136]
methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate [IIN-based on: CCMSLIB00000848091]
methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate [IIN-based: Match]
3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one [IIN-based: Match]
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
Ala Cys Met Pro
Ala Cys Asn Asn
Ala Cys Pro Met
Ala Asp Asp Thr
Ala Asp Glu Ser
Ala Asp Thr Asp
Ala Glu Asp Ser
Ala Glu Ser Asp
Ala Met Cys Pro
Ala Met Pro Cys
Ala Asn Cys Asn
Ala Asn Asn Cys
Ala Pro Cys Met
Ala Pro Met Cys
Ala Ser Asp Glu
Ala Ser Glu Asp
Ala Thr Asp Asp
Cys Ala Met Pro
Cys Ala Asn Asn
Cys Ala Pro Met
Cys Cys Pro Val
Cys Cys Val Pro
Cys Asp Pro Ser
Cys Asp Ser Pro
Cys Gly Asn Gln
Cys Gly Gln Asn
Cys Met Ala Pro
Cys Met Pro Ala
Cys Asn Ala Asn
Cys Asn Gly Gln
Cys Asn Asn Ala
Cys Asn Gln Gly
Cys Pro Ala Met
Cys Pro Cys Val
Cys Pro Asp Ser
Cys Pro Met Ala
Cys Pro Ser Asp
Cys Pro Val Cys
Cys Gln Gly Asn
Cys Gln Asn Gly
Cys Ser Asp Pro
Cys Ser Pro Asp
Cys Val Cys Pro
Cys Val Pro Cys
Asp Ala Asp Thr
Asp Ala Glu Ser
Asp Ala Ser Glu
Asp Ala Thr Asp
Asp Cys Pro Ser
Asp Cys Ser Pro
Asp Asp Ala Thr
Asp Asp Thr Ala
Asp Glu Ala Ser
Asp Glu Gly Thr
Asp Glu Ser Ala
Asp Glu Thr Gly
Asp Gly Glu Thr
Asp Gly Thr Glu
Asp Pro Cys Ser
Asp Pro Ser Cys
Asp Ser Ala Glu
Asp Ser Cys Pro
Asp Ser Glu Ala
Asp Ser Pro Cys
Asp Thr Ala Asp
Asp Thr Asp Ala
Asp Thr Glu Gly
Asp Thr Gly Glu
Glu Ala Asp Ser
Glu Ala Ser Asp
Glu Asp Ala Ser
Glu Asp Gly Thr
Glu Asp Ser Ala
Glu Asp Thr Gly
Glu Glu Gly Ser
Glu Glu Ser Gly
Glu Gly Asp Thr
Glu Gly Glu Ser
Glu Gly Ser Glu
Glu Gly Thr Asp
Glu Ser Ala Asp
Glu Ser Asp Ala
Glu Ser Glu Gly
Glu Ser Gly Glu
Glu Thr Asp Gly
Glu Thr Gly Asp
Gly Cys Asn Gln
Gly Cys Gln Asn
Gly Asp Glu Thr
Gly Asp Thr Glu
Gly Glu Asp Thr
Gly Glu Glu Ser
Gly Glu Ser Glu
Gly Glu Thr Asp
Gly Asn Cys Gln
Gly Asn Gln Cys
Gly Gln Cys Asn
Gly Gln Asn Cys
Gly Ser Glu Glu
Gly Thr Asp Glu
Gly Thr Glu Asp
Met Ala Cys Pro
Met Ala Pro Cys
Met Cys Ala Pro
Met Cys Pro Ala
Met Pro Ala Cys
Met Pro Cys Ala
Asn Ala Cys Asn
Asn Ala Asn Cys
Asn Cys Ala Asn
Asn Cys Gly Gln
Asn Cys Asn Ala
Asn Cys Gln Gly
Asn Gly Cys Gln
Asn Gly Gln Cys
Asn Asn Ala Cys
Asn Asn Cys Ala
Asn Gln Cys Gly
Asn Gln Gly Cys
Pro Ala Cys Met
Pro Ala Met Cys
Pro Cys Ala Met
Pro Cys Cys Val
Pro Cys Asp Ser
Pro Cys Met Ala
Pro Cys Ser Asp
Pro Cys Val Cys
Pro Asp Cys Ser
Pro Asp Ser Cys
Pro Met Ala Cys
Pro Met Cys Ala
Pro Ser Cys Asp
Pro Ser Asp Cys
Pro Val Cys Cys
Gln Cys Gly Asn
Gln Cys Asn Gly
Gln Gly Cys Asn
Gln Gly Asn Cys
Gln Asn Cys Gly
Gln Asn Gly Cys
Ser Ala Asp Glu
Ser Ala Glu Asp
Ser Cys Asp Pro
Ser Cys Pro Asp
Ser Asp Ala Glu
Ser Asp Cys Pro
Ser Asp Glu Ala
Ser Asp Pro Cys
Ser Glu Ala Asp
Ser Glu Asp Ala
Ser Glu Glu Gly
Ser Glu Gly Glu
Ser Gly Glu Glu
Ser Pro Cys Asp
Ser Pro Asp Cys
Thr Ala Asp Asp
Thr Asp Ala Asp
Thr Asp Asp Ala
Thr Asp Glu Gly
Thr Asp Gly Glu
Thr Glu Asp Gly
Thr Glu Gly Asp
Thr Gly Asp Glu
Thr Gly Glu Asp
Val Cys Cys Pro
Val Cys Pro Cys
Val Pro Cys Cys
Rhapontin
Rhapontin is a member of the class of compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Rhapontin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rhapontin can be found in garden rhubarb, which makes rhapontin a potential biomarker for the consumption of this food product. Rhapontin has beneficial effects on diabetic mice, and in vitro results suggest it may be relevant to Alzheimers disease with an action on beta amyloid . Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1]. Rhapontin (Rhaponiticin), a component of rhubarb (Rheum officinale Baill), induces apoptosis resulting in suppression of proliferation of human stomach cancer KATO III cells[1].
E-3179
2',4',6'-Trihydroxydihydrochalcone 2'-glucoside
2',4',6'-Trihydroxydihydrochalcone 4'-glucoside
Bikoeniquinone A
2-Methyl-4-oxo-4H-pyran-3-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside
HCV-086
(S)-4-(3-chloro-4-MethoxybenzylaMino)-5-ethoxycarbonyl-2-(2-hydroxyMethyl-1-pyrrolidinyl)pyriMidine
2-[[4-[ethyl(2-hydroxypropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride
Flupirtine maleate
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics Flupirtine Maleate is a?brain?penetrant, and orally bioavailable, non-opioid and centrally acting analgesic agent. Flupirtine Maleate is an indirect N-methyl-D-aspartate receptor (NMDAR) antagonist. Neuroprotective properties[1][2].
Benzyloxycarbonyl-L-phenylalanine p-nitrophenylester
1-Methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl 2,6-difluorobenzenesulfonate
(3R)-3-Cyclopentyl-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyra zol-1-yl]propanenitrile trifluoroacetate (1:1)
N-(6-((2-METHOXYETHYL)(METHYL)AMINO)PYRIDIN-3-YL)-2-PHENYL-4-(TRIFLUOROMETHYL)OXAZOLE-5-CARBOXAMIDE
3-Isopropoxy-5-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl] benzaldehyde
2-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]ethanol
etofylline clofibrate
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-amino-7a-(2,5-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
Filanesib
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D050258 - Mitosis Modulators
Anzemet (TN)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
3-(1,4,7,10-Tetraazacyclododec-1-yl)-1,2,4-butanetriol hydrochloride (1:4)
(S)-Flurbiprofen-acyl-beta-D-glucuronide min. 98\\%
Flurbiprofen Acyl-β-D-glucuronide (Mixture of Diastereomers)
(2r)-N-Hydroxy-3-Naphthalen-2-Yl-2-[(Naphthalen-2-Ylsulfonyl)amino]propanamide
3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-(piperidin-1-ylmethyl)-4H-chromen-4-one
3-(3,4-Dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e:4,3-f]pyrimidinone
5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
4-[5-[3-(Methylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzenepropanoic acid
5,7-dimethyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
3-[5-{[3-(2-Carboxyethyl)-4-(Carboxymethyl)-5-Methyl-1h-Pyrrol-2-Yl]methyl}-4-(Carboxymethyl)-1h-Pyrrol-3-Yl]propanoic Acid
10-Chloro-1-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
N-(3-anilino-2-quinoxalinyl)-4-ethoxybenzenesulfonamide
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide
Methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
[3-Amino-6-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinyl]-(3,4-dimethoxyphenyl)methanone
N-(1H-benzimidazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
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
N-(5-tert-butyl-3-isoxazolyl)-7-chloro-8-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide
1-(4-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
2-[2-Furanyl(oxo)methyl]imino-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxylic acid ethyl ester
4-[[3-(4-Chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid
3-[[1-Oxo-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethyl]amino]benzoic acid
3-(4-Hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
[2-(butylamino)-2-oxoethyl] (3Z)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
(2S,3S,4S,5R,6S)-6-[2-(3-fluoro-4-phenylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(beta-D-glucopyranosyloxymethyl)deoxyuridine
A pyrimidine 2-deoxyribonucleoside having beta-D-glucopyranosyloxymethyluracil (base J) as the nucleobase.
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
4-(3-Chloro-4-fluoroanilino)-6-[3-(3-hydroxypropylamino)propoxy]quinazolin-7-ol
(9R,17S)-1-azoniahexacyclo[15.8.0.01,9.02,7.010,15.018,23]pentacosa-2,4,6,10,12,14,18,20,22-nonaene-4,5,12,13,20,21-hexol
1,1,2,2,5,5,6,6,9,9,10,10-Dodecamethyl-1,2,5,6,9,10-hexasila-3,7,11-cyclododecatriyne
1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-phenyl-
Methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate
(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid
(3E,6S)-3-[(3-hydroxyphenyl)methylidene]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
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].
DGAT1-IN-3
DGAT1-IN-3 is a potent, selective and orally bioavailable inhibitor of DGAT-1, with IC50s of 38 nM for human DGAT-1 and 120 nM for rat DGAT-1. DGAT1-IN-3 could be used to research of obesity, dyslipidemia, and metabolic syndrome[1][2].
KRAS G12D inhibitor 14
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].
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
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
2-{[3-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3,4-dihydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
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
methyl 10-(2,3-dimethyloxirane-2-carbonyloxy)-9-hydroxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-2,7-diene-8-carboxylate
(9r,17s)-4,5,12,13,20,21-hexahydroxy-1λ⁵-azahexacyclo[15.8.0.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹⁸,²³]pentacosa-2,4,6,10,12,14,18(23),19,21-nonaen-1-ylium
(7s,8s,8as)-3-(dimethoxymethyl)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-8-yl 2,4-dihydroxy-6-methylbenzoate
{6-[(7-acetyl-8-hydroxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate
(e)-1'-methoxy-3,3'-dimethyl-[2,4'-bicarbazolylidene]-1,4-diol
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,5r,6s)-2-{[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl]oxy}-6-methyloxane-3,4,5-triol
(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
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"}
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"}
anticancer flavonoid pmv70p691-77
{"Ingredient_id": "HBIN016337","Ingredient_name": "anticancer flavonoid pmv70p691-77","Alias": "NA","Ingredient_formula": "C21H24O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1412","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}