Exact Mass: 502.1686
Exact Mass Matches: 502.1686
Found 500 metabolites which its exact mass value is equals to given mass value 502.1686
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
beta-Fabatriose
Cycloheterophyllin
Cycloheterophyllin is an extended flavonoid. Cycloheterophyllin is a natural product found in Artocarpus integer and Artocarpus lowii with data available. Cycloheterophyllin is found in fruits. Cycloheterophyllin is isolated from bark of Artocarpus heterophyllus (jackfruit Isolated from bark of Artocarpus heterophyllus (jackfruit). Cycloheterophyllin is found in jackfruit and fruits.
Limonexic acid
Constituent of Citrus subspecies Limonexic acid is found in sweet orange and citrus. Limonexic acid is found in citrus. Limonexic acid is a constituent of Citrus species
Artonin B
Artonin B is found in fruits. Artonin B is a constituent of Artocarpus heterophyllus (jackfruit) Constituent of Artocarpus heterophyllus (jackfruit). Artonin B is found in fruits.
Isocycloheterophyllin
Isocycloheterophyllin is found in fruits. Isocycloheterophyllin is a constituent of wood of Artocarpus heterophyllus (jackfruit)
Artonin A
Artonin A is found in fruits. Artonin A is a constituent of Artocarpus heterophyllus (jackfruit) Constituent of Artocarpus heterophyllus (jackfruit). Artonin A is found in fruits.
Artonin F
Artonin F is found in breadfruit. Artonin F is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). Artonin F is found in breadfruit and fruits.
Isoglobotriaose
Isoglobotriaose is a glycosphingolipid found in mammalian tissues; nonepithelial residue in the intestine, spleen, and spleen microsomes. (PMID: 7053385, 893368, 4690582). Globotriaosylceramide receptors bind to Verotoxin 1 (VT1) B subunits from Escherichia coli eliciting human vascular disease as a consequence of specific binding to these receptors on endothelial cell surfaces. (PMID: 10361298, 10353828). Globotriaosylceramides accumulate in patients with Fabry disease. Fabry disease is a X-linked metabolic disorder caused by a deficiency of alpha-galactosidase leading to the systemic accumulation of glycosphingolipids with alpha-galactosyl moieties; glycolipid deposition in endothelial cells leads to renal failure and cardiac and cerebrovascular disease. (PMID: 10339603). Isoglobotriaose is a glycosphingolipid found in mammalian tissues; nonepithelial residue in the intestine, spleen, and spleen microsomes. (PMID: 7053385, 893368, 4690582)
Clozapine glucuronide
Clozapine glucuronide is a metabolite of clozapine. Clozapine (sold as Clozaril, Gen-Clozapine in Canada, Azaleptin, Leponex, Fazaclo, Froidir; Denzapine, Zaponex in the UK; Klozapol in Poland, Clopine in Australia and New Zealand) is an atypical antipsychotic medication used in the treatment of schizophrenia, and is also used off-label in the treatment of bipolar disorder. Wyatt. R and Chew. (Wikipedia)
5-S-glutathionyl-L-DOPA
5-S-glutathionyl-L-DOPA is classified as a member of the Oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 5-S-glutathionyl-L-DOPA is considered to be practically insoluble (in water) and acidic
Ac-DEVD-CHO
Adozelesin
Inolitazone
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D000970 - Antineoplastic Agents
2-[4-[2-(1H-Benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide
D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors
(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Asp f I
Gochnatiolide A
Euchretin J
Demethoxyisogemichalcone C
Cycloheterophyllin
(2R,4S)-6,8-dimethyl-7-hydroxy-4-methoxy-4,2-oxidoflavan-5-O-beta-D-6-O-acetylglucopyranoside
apigenin 7-O-beta-D-glucuronopyranoside butyl ester|Apigenin-7-O-??-D-glucuronide butyl ester
Syringaresil diacetate
A lignin that is the diacetate ester of syringylresinol.
(2S,4S)-6,8-dimethyl-7-hydroxy-4-methoxy-4,2-oxidoflavan-5-O-beta-D-3-O-acetyl-glucopyranoside|abacopterin B
(11beta)-21,23-dihydro-11,21-dihydroxy-23-oxoobacunone|21,23-dihydro-21-hydroxy-23-oxozapoterin
3beta-acetoxy-8alpha-(4,5-diacetoxyangeloyloxy)-eremanthin|3beta-acetoxy-8alpha-<4,5-diacetoxyangeloyloxy>-eremanthin
Bis-((E)-4-hydroxy-3,5-dimethoxy-benzyliden)-bernsteinsaeure-diaethylester|bis-((E)-4-hydroxy-3,5-dimethoxy-benzylidene)-succinic acid diethyl ester|diethyl (E,E)-2,3-bis(3,5-dimethoxy-4-hydroxybenzylidene)succinate|Phebalarin
8-acetoxy-2,2,6-trimethoxy-3,4,4,5-methylenedioxyphenyl-7,7-dioxabicyclo[3.3.0]octane
1-O-(4-Caffeoyl)-beta-glucopyranosyl-1,4-dihydroxy-2-(3,3-dimethylallyl)benzene|1-O-(4-O-caffeoyl)-beta-glucopyranosyl-2-(3,3-dimethylallyl) hydroquinone|1-O-(4-O-caffeoyl-beta-glucopyranosyl)-1,4-dihydroxy-2-(3,3-dimethylallyl)benzene
4-(4,6-dimethoxy-1,3-benzodioxol-5-yl)dihydro-1-(4-methoxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate
4-(4,6-dimethoxy-1,3-benzodioxol-5-yl)dihydro-1-(6-methoxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate
6-O-apio-beta-furanosyl-[5-O-(trans-dimethoxycinnamic acid)]-alpha/beta-glucopyranoside
10-O-(4-O-methylsuccinoyl)geniposide|[(1S,4aS,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4-(methoxycarbonyl)-cyclopenta[c]pyran-7-yl]methyl methyl butanedioate
3-[(4-O-caffeoyl-beta-D-glucopyranosyloxy)methyl]-2,5-dimethoxy-3-hydroxytetrahydrofuran|cibotiumbaroside B
3-[??-Hydroxymethyl-(E)-??-methylallyl]-2,4,2,4-tetrahydroxychalcone 11-O-coumarate|isogemichalcone B
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl 6-O(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside|clemomandshuricoside B
Isolimonexin
Isolimonexic acid is a natural product found in Glycosmis parva, Citrus nippokoreana, and other organisms with data available.
Ala Cys Phe Tyr
Ala Cys Tyr Phe
Ala Phe Cys Tyr
Ala Phe Tyr Cys
Ala Tyr Cys Phe
Ala Tyr Phe Cys
Cys Ala Phe Tyr
Cys Ala Tyr Phe
Cys Cys Phe Met
Cys Cys Met Phe
Cys Asp Glu His
Cys Asp His Glu
Cys Glu Asp His
Cys Glu His Asp
Cys Phe Ala Tyr
Cys Phe Cys Met
Cys Phe Phe Ser
Cys Phe His Pro
Cys Phe Met Cys
Cys Phe Pro His
Cys Phe Ser Phe
Cys Phe Tyr Ala
Cys His Asp Glu
Cys His Glu Asp
Cys His Phe Pro
Cys His Ile Met
Cys His Leu Met
Cys His Met Ile
Cys His Met Leu
Cys His Pro Phe
Cys Ile His Met
Cys Ile Met His
Cys Leu His Met
Cys Leu Met His
Cys Met Cys Phe
Cys Met Phe Cys
Cys Met His Ile
Cys Met Ser Tyr
Cys Met Tyr Ser
Cys Pro Phe His
Cys Pro His Phe
Cys Ser Phe Phe
Cys Ser Met Tyr
Cys Ser Tyr Met
Cys Tyr Ala Phe
Cys Tyr Phe Ala
Cys Tyr Met Ser
Cys Tyr Ser Met
Asp Cys Glu His
Asp Cys His Glu
Asp Glu Cys His
Asp Glu His Cys
Asp His Cys Glu
Asp His Glu Cys
Asp His Met Thr
Asp His Thr Met
Asp Met His Thr
Asp Met Thr His
Asp Thr His Met
Asp Thr Met His
Glu Cys Asp His
Glu Cys His Asp
Glu Asp Cys His
Glu Asp His Cys
Glu Glu Glu Pro
Glu Glu Pro Glu
Glu His Cys Asp
Glu His Asp Cys
Glu His Met Ser
Glu His Ser Met
Glu Met His Ser
Glu Met Ser His
Glu Pro Glu Glu
Glu Ser His Met
Glu Ser Met His
Phe Ala Cys Tyr
Phe Ala Tyr Cys
Phe Cys Ala Tyr
Phe Cys Cys Met
Phe Cys Phe Ser
Phe Cys His Pro
Phe Cys Met Cys
Phe Cys Pro His
Phe Cys Ser Phe
Phe Cys Tyr Ala
Phe Phe Cys Ser
Phe Phe Ser Cys
Phe His Cys Pro
Phe His Pro Cys
Phe Met Cys Cys
Phe Pro Cys His
Phe Pro His Cys
Phe Ser Cys Phe
Phe Ser Phe Cys
Phe Tyr Ala Cys
Phe Tyr Cys Ala
His Cys Asp Glu
His Cys Glu Asp
His Cys Phe Pro
His Cys Pro Phe
His Asp Cys Glu
His Asp Glu Cys
His Asp Met Thr
His Asp Thr Met
His Glu Cys Asp
His Glu Asp Cys
His Glu Met Ser
His Glu Ser Met
His Phe Cys Pro
His Phe Pro Cys
His Met Asp Thr
His Met Glu Ser
His Met Ser Glu
His Met Thr Asp
His Pro Cys Phe
His Pro Phe Cys
His Ser Glu Met
His Ser Met Glu
His Thr Asp Met
His Thr Met Asp
Met Cys Cys Phe
Met Cys Phe Cys
Met Cys Ser Tyr
Met Cys Tyr Ser
Met Asp His Thr
Met Asp Thr His
Met Glu His Ser
Met Glu Ser His
Met Phe Cys Cys
Met His Asp Thr
Met His Glu Ser
Met His Ser Glu
Met His Thr Asp
Met Ser Cys Tyr
Met Ser Glu His
Met Ser His Glu
Met Ser Tyr Cys
Met Thr Asp His
Met Thr His Asp
Met Tyr Cys Ser
Met Tyr Ser Cys
Pro Cys Phe His
Pro Cys His Phe
Pro Glu Glu Glu
Pro Phe Cys His
Pro Phe His Cys
Pro His Cys Phe
Pro His Phe Cys
Ser Cys Phe Phe
Ser Cys Met Tyr
Ser Cys Tyr Met
Ser Glu His Met
Ser Glu Met His
Ser Phe Cys Phe
Ser Phe Phe Cys
Ser His Glu Met
Ser His Met Glu
Ser Met Cys Tyr
Ser Met Glu His
Ser Met His Glu
Ser Met Tyr Cys
Ser Tyr Cys Met
Ser Tyr Met Cys
Thr Asp His Met
Thr Asp Met His
Thr His Asp Met
Thr His Met Asp
Thr Met Asp His
Thr Met His Asp
Tyr Ala Cys Phe
Tyr Ala Phe Cys
Tyr Cys Ala Phe
Tyr Cys Phe Ala
Tyr Cys Met Ser
Tyr Cys Ser Met
Tyr Phe Ala Cys
Tyr Phe Cys Ala
Tyr Met Cys Ser
Tyr Met Ser Cys
Tyr Ser Cys Met
Tyr Ser Met Cys
N-Ac-Asp-Glu-Val-Asp-CHO
Isoglobotriaose
Isocycloheterophyllin
(6α,8ξ,11β,14ξ,16α,17α)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl] carbonyl}-11-hydroxy-16-methyl-3-oxoandrost-4-en-17-yl propionate
[(2R,3R,4R,5R)-4-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate
Ac-DEVD-CHO
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors Ac-DEVD-CHO is a specific Caspase-3 inhibitor with a Ki value of 230 pM.
1-[5-Chloro-2-(trifluoromethyl)benzyl]-7-[6-(4-methyl-1-piperazin yl)-3-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
Spirapril hydrochloride
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
4-METHOXYPHENYL 2,4,6-TRI-O-ACETYL-3-O-BENZYL-BETA-D-GLUCOPYRANOSIDE
Phenyl 3,6-diazido-3,6-dideoxy-2,4-bis-O-(phenylmethyl)-1-thio-beta-D-glucopyranoside
Forxiga
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D000077203 - Sodium-Glucose Transporter 2 Inhibitors C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor
1-Hydroxy-2-S-glutathionyl-3-para-nitrophenoxy-propane
(2R)-2-amino-4-[4-[(1R)-2-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]amino]-1-(hydroxyamino)-2-oxoethyl]phenoxy]butanoic acid
(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
abacopterin B
An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2S,4S)-2-(4-methoxyphenyl)-6,8-dimethylchromane-4,5,7-triol across the 1- and 2-positions of 3-O-acetyl-1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana.
abacopterin A
An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2S,4S)-2-(4-methoxyphenyl)-6,8-dimethylchromane-4,5,7-triol across the 1- and 2-positions of 6-O-acetyl-1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana.
3-(4-methylphenyl)-N-[3-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolecarboxamide
2-Hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester
3-(4-{7-[(5-carboxypentyl)(ethyl)amino]-2-oxo-2H-chromen-3-yl}pyridinium-1-yl)propane-1-sulfonate
[(4R)-4-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(4-morpholinyl)methanone
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
(3R,6aR,8S,10aR)-N-(4-chlorophenyl)-3-hydroxy-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
6-({3,5-Dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[4,5,6-trihydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxyoxane-2-carboxylic acid
6-({4,5-Dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-({4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2,3,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-4-yl]oxyoxane-2-carboxylic acid
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] heptanoate
[3-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-pentanoyloxypropyl] pentanoate
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] hexanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] octanoate
(2R,3R,4R,5R)-4-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal
Arg-AMS
Arg-AMS (compound 24) is a potent nanomolar inhibitor of arginyl tRNA synthetase, which displays tightly bound inhibitory characteristics for the A-domains in non-ribosomal peptide synthetases (NRPS) enzymes[1].
CCG258747
CCG258747 is a selective GRK2 inhibitor (IC50=18 nM) with high selectivity over GRK1, GRK5, PKA, and ROCK1 (518, 83, >5500, and >550–fold, respectively).CCG258747 also blocks the internalization of the μ-opioid receptor. G protein-coupled receptor (GPCR) kinases (GRKs) are attractive targets for the research of heart failure[1]. CCG258747 is a selective GRK2 inhibitor (IC50=18 nM) with high selectivity over GRK1, GRK5, PKA, and ROCK1 (518, 83, >5500, and >550–fold, respectively).CCG258747 also blocks the internalization of the μ-opioid receptor. G protein-coupled receptor (GPCR) kinases (GRKs) are attractive targets for the research of heart failure[1].
Naporafenib
Naporafenib (LXH254) is a potent, selective, orally active, type II BRAF and CRAF inhibitor, with IC50 values of 0.072 and 0.21 nM against CRAF and BRAF, respectively[1][2].
methyl (1s,2s,10r,12r,13s,15s,18s,19s,20r,21r)-12-hydroxy-7,7,13,18,21-pentamethyl-5,17-dioxo-6,11,14,16-tetraoxaspiro[hexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosane-2,2'-oxirane]-3,8-diene-20-carboxylate
methyl (1r,3s,4r,7r,8s,11s,12s,15s,16s)-16-(furan-3-yl)-12-hydroxy-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.0¹,¹⁵.0³,¹¹.0⁴,⁸]nonadecane-7-carboxylate
3,22-dimethoxy-13-methyl-12-methylidene-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(22),2(10),3,8,15,17(21)-hexaen-11-yl benzoate
(1r,2r,7s,10r,13r,14r,20s)-19-(2-hydroxy-5-oxo-2h-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione
(16s,17s)-16-(4-hydroxy-3-methoxyphenyl)-17-(hydroxymethyl)-13-isopropyl-7,7-dimethyl-15,18-dioxatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-1(19),2,4,8,11,13-hexaene-6,10-dione
(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(2r,3s,5s)-3-hydroxy-2,5-dimethoxyoxolan-3-yl]methoxy}-2-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(1s,3as,4s,6as)-4-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-1-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate
(16r,17s)-16-(4-hydroxy-3-methoxyphenyl)-17-(hydroxymethyl)-13-isopropyl-7,7-dimethyl-15,18-dioxatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-1(19),2,4,8,11,13-hexaene-6,10-dione
(17r)-12,21,23-trihydroxy-8,8,18,18-tetramethyl-5-(3-methylbut-2-en-1-yl)-3,7,19-trioxahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1(23),2(15),4,6(11),9,12,20(24),21-octaen-14-one
{7-[(acetyloxy)methyl]-8-(4-hydroxy-3,5-dimethoxyphenyl)-9-methoxy-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-6-yl}methyl acetate
(1r,3ar,4s,6as)-1-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-4-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate
10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
(11s)-6,7,15-trihydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-2,10,20-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3(12),4,6,8,14,16(21),17-octaen-13-one
(1r,2r,7s,10r,13r,14r,16s,19r,20s)-19-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione
(3s)-3-hydroxy-5-{[(2e)-3-(3-hydroxy-5-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-3-methyl-5-oxopentanoic acid
(1's,2's,3as,6's,6ar,9r,9'r,9ar,9bs)-9'-hydroxy-3,5',6,15'-tetramethylidene-4,5,6a,7,9a,9b-hexahydro-3ah-3'-oxaspiro[azuleno[4,5-b]furan-9,12'-tetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadecan]-13'(16')-ene-2,4',8,14'-tetrone
(17r)-12,21,23-trihydroxy-8,8,18,18-tetramethyl-11-(3-methylbut-2-en-1-yl)-3,9,19-trioxahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁵,¹⁰.0²⁰,²⁴]tetracosa-1(23),2(15),4,6,10,12,20(24),21-octaen-14-one
(7r,16r)-11,18,19,21-tetrahydroxy-7-methyl-7-(4-methylpent-3-en-1-yl)-16-(prop-1-en-2-yl)-2,8-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(14),3,5,9,11,17,19,21-octaen-13-one
(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-{[(2r,3s,5s)-3-hydroxy-2,5-dimethoxyoxolan-3-yl]methoxy}-2-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(1'r,2's,3as,6's,6ar,9s,9's,9ar,9bs)-9'-hydroxy-3,5',6,15'-tetramethylidene-4,5,6a,7,9a,9b-hexahydro-3ah-3'-oxaspiro[azuleno[4,5-b]furan-9,12'-tetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadecan]-13'(16')-ene-2,4',8,14'-tetrone
(2s,3r,4s,5s,6r)-2-{[(3s,4r)-4-ethenyl-8-oxo-3h,4h,6h-pyrano[3,4-c]pyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
19-(furan-3-yl)-12,21-dihydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,11,17-trione
(2r)-phellodensin f
{"Ingredient_id": "HBIN006550","Ingredient_name": "(2r)-phellodensin f","Alias": "NA","Ingredient_formula": "C26H30O10","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C","Ingredient_weight": "502.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17060","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11641873","DrugBank_id": "NA"}
(2R)-phellodensin-F
{"Ingredient_id": "HBIN006551","Ingredient_name": "(2R)-phellodensin-F","Alias": "NA","Ingredient_formula": "C26H30O10","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C","Ingredient_weight": "502.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39112","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11641873","DrugBank_id": "NA"}
3'-[γ-hydroxymethyl-(e)-γ-methylallyl]-2,4,2',4'-tetrahydroxychalcone 11'-o-coumarate
{"Ingredient_id": "HBIN009772","Ingredient_name": "3'-[\u03b3-hydroxymethyl-(e)-\u03b3-methylallyl]-2,4,2',4'-tetrahydroxychalcone 11'-o-coumarate","Alias": "NA","Ingredient_formula": "C29H26O8","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)COC(=O)C=CC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10505","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4',6''-diacetyl puerarin
{"Ingredient_id": "HBIN010066","Ingredient_name": "4',6''-diacetyl puerarin","Alias": "NA","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CC(=O)OCC1C(C(C(C(O1)C2=C(C=CC3=C2OC(CC3=O)C4=CC=C(C=C4)OC(=O)C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15013","TCMID_id": "5344","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4',6''-diacetyl puerarine
{"Ingredient_id": "HBIN010067","Ingredient_name": "4',6''-diacetyl puerarine","Alias": "NA","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CC(=O)OCC1C(C(C(C(O1)C2=C(C=CC3=C2OC(CC3=O)C4=CC=C(C=C4)OC(=O)C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30889","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-7-o-beta-d-glucuronide butyl ester
{"Ingredient_id": "HBIN016459","Ingredient_name": "apigenin-7-o-beta-d-glucuronide butyl ester","Alias": "apigenin-7-o-\u03b2-d-glucuronide butyl ester","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CCCCOC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30617;1495","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}