Exact Mass: 428.1345
Exact Mass Matches: 428.1345
Found 500 metabolites which its exact mass value is equals to given mass value 428.1345
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Wortmannin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D007329 - Insulin Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D011838 - Radiation-Sensitizing Agents
SB243213A
CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9396; ORIGINAL_PRECURSOR_SCAN_NO 9395 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4902; ORIGINAL_PRECURSOR_SCAN_NO 4900 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4912; ORIGINAL_PRECURSOR_SCAN_NO 4909 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4923; ORIGINAL_PRECURSOR_SCAN_NO 4921 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4879 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9448; ORIGINAL_PRECURSOR_SCAN_NO 9447 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9442; ORIGINAL_PRECURSOR_SCAN_NO 9439 INTERNAL_ID 630; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9448; ORIGINAL_PRECURSOR_SCAN_NO 9447 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4910; ORIGINAL_PRECURSOR_SCAN_NO 4906 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9358; ORIGINAL_PRECURSOR_SCAN_NO 9357 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9440; ORIGINAL_PRECURSOR_SCAN_NO 9438 CONFIDENCE standard compound; INTERNAL_ID 630; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9390; ORIGINAL_PRECURSOR_SCAN_NO 9387
Rhodomycinone
A carboxylic ester that is the methyl ester of (1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid.
Ptelatoside B
Constituent of Pteridium aquilinum (bracken fern). Ptelatoside B is found in green vegetables and root vegetables. Ptelatoside B is found in green vegetables. Ptelatoside B is a constituent of Pteridium aquilinum (bracken fern)
b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose
b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose is found in fruits. b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose is a constituent of Acutosides from Luffa acutangula (Chinese okra). Constituent of Acutosides from Luffa acutangula (Chinese okra). b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose is found in fruits.
Lacosamide-glucuronide
Lacosamide-glucuronide is a metabolite of lacosamide. Lacosamide (INN, formerly known as erlosamide) is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. The U.S. Food and Drug Administration accepted UCBs New Drug Application for lacosamide as of November 29, 2007, beginning the approval process for the drug. (Wikipedia)
Capivasertib
Miricorilant
C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C183052 - Glucocorticoid Receptor Antagonist C147908 - Hormone Therapy Agent
Halobetasol
Balipodect
wortmannin
trans-p-Ferulyl alcohol 4-O-[6-(2-methyl-3-hydroxypropionyl)] glucopyranoside
Trans-p-ferulyl alcohol 4-o-[6-(2-methyl-3-hydroxypropionyl)] glucopyranoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Trans-p-ferulyl alcohol 4-o-[6-(2-methyl-3-hydroxypropionyl)] glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-p-ferulyl alcohol 4-o-[6-(2-methyl-3-hydroxypropionyl)] glucopyranoside can be found in a number of food items such as pepper (c. annuum), red bell pepper, yellow bell pepper, and italian sweet red pepper, which makes trans-p-ferulyl alcohol 4-o-[6-(2-methyl-3-hydroxypropionyl)] glucopyranoside a potential biomarker for the consumption of these food products.
Rosavin
Rosavin is an O-acyl carbohydrate. Rosavin is a natural product found in Rhodiola rosea, Rhodiola crenulata, and other organisms with data available. See also: Sedum roseum root (part of). Rosavin is isolated from R. rosea, Rosavin shows antidepressant-like, adaptogenic, anxiolytic-like effects in mice model[1]. Rosavin is isolated from R. rosea, Rosavin shows antidepressant-like, adaptogenic, anxiolytic-like effects in mice model[1].
Rosarin
Rosarin is an O-acyl carbohydrate. Rosarin is a natural product found in Rhodiola rosea, Rhodiola crenulata, and other organisms with data available. See also: Sedum roseum root (part of). Rosarin is a cinnamyl alcohol?glycoside isolated from?Rhodiola rosea. Rosarin has anti-inflammatory and neuroprotective effects. Rosarin supresses the expression of the proinflammatory factors iNOS, IL-1?β, and TNF- α in the kidney and prefrontal cortex of brain in mice?[1]. Rosarin is a cinnamyl alcohol?glycoside isolated from?Rhodiola rosea. Rosarin has anti-inflammatory and neuroprotective effects. Rosarin supresses the expression of the proinflammatory factors iNOS, IL-1?β, and TNF- α in the kidney and prefrontal cortex of brain in mice?[1].
Dehydrocorydaline nitrate
Dehydrocorydaline nitrate (13-Methylpalmatine nitrate) is an alkaloid. Dehydrocorydaline regulates protein expression of Bax, Bcl-2; activates caspase-7, caspase-8, and inactivates PARP[1]. Dehydrocorydaline nitrate elevates p38 MAPK activation. Anti-inflammatory and anti-cancer activities.[2]. Dehydrocorydaline nitrate shows strong anti-malarial effects (IC50?=38 nM), and low cytotoxicity (cell viability?>?90\\%) using P. falciparum 3D7 strain[3]. Dehydrocorydaline nitrate (13-Methylpalmatine nitrate) is an alkaloid. Dehydrocorydaline regulates protein expression of Bax, Bcl-2; activates caspase-7, caspase-8, and inactivates PARP[1]. Dehydrocorydaline nitrate elevates p38 MAPK activation. Anti-inflammatory and anti-cancer activities.[2]. Dehydrocorydaline nitrate shows strong anti-malarial effects (IC50?=38 nM), and low cytotoxicity (cell viability?>?90\%) using P. falciparum 3D7 strain[3].
Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
trans-p-Ferulyl alcohol 4-O-[6-(2-methyl-3-hydroxypropionyl)] glucopyranoside
3,7-Dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-5,6,4-trimethoxyflavone
Brevipolide B
A pyranone that is a carboxylic ester of cis-4-coumaric acid. It is isolated from the whole plant of Hyptis brevipes and has been found to exhibit cytotoxicity against HT-29 and MCF-7 cancer cells.
5,7-Dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-3,6,4-trimethoxyflavone
9-(1,1-Dimethyl-2-propenyl)-2,3-dihydro-3,6,7,11-tetrahydroxy-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-b]xanthen-5-on
2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-(4-ethenylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
1-Butanoyl-2,4,5,7,8-pentamethoxy-anthrachinon|1-Butyryl-2,4,5,7,8-pentamethoxy-anthrachinon
3,7-Dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-4,5,6-trimethoxyflavone
2-(1-O-feruloyl-2-hydroxyisopropyl)-5,6-dimethoxybenzofuran
5-Deoxy,5-chloro,tri-Ac-8-(1-Hydroxypropyl)-2-(2-penten-4-ynyl)-3,5,6-oxocanetrio
chavicol 4-O-alpha-L-arabinofuranosyl-(1->6)-beta-D-glucopyranoside
(1alpha,2beta,3alpha)-Tribenzoyl-4-Cyclopentene-1,2,3-triol
2,7,8-Tri-Me ether,di-Ac-2,3,5,7,8-Pentahydroxyflavone
benzyl 6-O-[(S)-3-hydroxy-3-methyl-5-methoxyglutaroyl]-beta-D-glucopyranoside|undatuside B
phenethyl 6-O-[(S)-3-hydroxy-3-methylglutaroyl]-beta-D-glucopyranoside|undatuside C
(-)-(E)-4-hydroxyphenylpropene 4-O-beta-L-xylopyranosyl-(1?6)-beta-D-glucopyranoside
(-)-(E)-4-hydroxyphenylpropene 4-O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranoside
(5E,8Z,14Z)-6-iodoicosa-5,8,14-trien-11-ynoic acid
(-)-(E)-4-hydroxyphenylpropene 4-O-alpha-L-apiosyl-(1?6)-beta-D-glucopyranoside
(-)-(E)-4-hydroxyphenylpropene 4-O-alpha-L-apiosyl-(1?2)-beta-D-glucopyranoside
canthin-6-one-9-methoxy-5-O-beta-D-glucopyranoside
3,8-dihydroxy-11-oxo-1-pentanoyl-6-propyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid methyl ester|Conloxodin|Couloxodin
3,4,6-Trimethoxy-3-(2-hydroxy-3-methyl-3-butenyl)-5,7-dihydroxyflavone
9-(1,1-dimethylprop-2-en-1-yl)-3,6,7,11-tetrahydroxy-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-5H-furo[3,2-b]xanthen-5-one
Dehydrocorydaline nitrate
Dehydrocorydaline nitrate (13-Methylpalmatine nitrate) is an alkaloid. Dehydrocorydaline regulates protein expression of Bax, Bcl-2; activates caspase-7, caspase-8, and inactivates PARP[1]. Dehydrocorydaline nitrate elevates p38 MAPK activation. Anti-inflammatory and anti-cancer activities.[2]. Dehydrocorydaline nitrate shows strong anti-malarial effects (IC50?=38 nM), and low cytotoxicity (cell viability?>?90\\%) using P. falciparum 3D7 strain[3]. Dehydrocorydaline nitrate (13-Methylpalmatine nitrate) is an alkaloid. Dehydrocorydaline regulates protein expression of Bax, Bcl-2; activates caspase-7, caspase-8, and inactivates PARP[1]. Dehydrocorydaline nitrate elevates p38 MAPK activation. Anti-inflammatory and anti-cancer activities.[2]. Dehydrocorydaline nitrate shows strong anti-malarial effects (IC50?=38 nM), and low cytotoxicity (cell viability?>?90\%) using P. falciparum 3D7 strain[3].
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one
SMZ-Pt
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); ALGAE_TP_ID 3102
C20H28O10_4-Vinylphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
C20H28O10_2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside
15-(1,3-dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one
(2R,3S,4S,5R,6R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one [IIN-based on: CCMSLIB00000847582]
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one [IIN-based: Match]
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-(4-ethenylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol_49.5\\%
(2R,3S,4S,5R,6R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol_major
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-(4-ethenylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol_major
5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid_major
5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid_78.7\\%
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one_major
15-(1,3-dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one_major
15-(1,3-dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹?.0?,?.0¹?,¹?]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
Ala Asp His Ser
Ala Asp Ser His
Ala His Asp Ser
Ala His Ser Asp
Ala Ser Asp His
Ala Ser His Asp
Cys Cys Phe Gly
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Cys Phe Gly Cys
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Cys Tyr Ser Gly
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Asp Ala Ser His
Asp Gly His Thr
Asp Gly Thr His
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Asp His Gly Thr
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Asp His Thr Gly
Asp Ser Ala His
Asp Ser His Ala
Asp Thr Gly His
Asp Thr His Gly
Glu Gly His Ser
Glu Gly Ser His
Glu His Gly Ser
Glu His Ser Gly
Glu Ser Gly His
Glu Ser His Gly
Phe Cys Cys Gly
Phe Cys Gly Cys
Phe Gly Cys Cys
Gly Cys Cys Phe
Gly Cys Phe Cys
Gly Cys Ser Tyr
Gly Cys Tyr Ser
Gly Asp His Thr
Gly Asp Thr His
Gly Glu His Ser
Gly Glu Ser His
Gly Phe Cys Cys
Gly His Asp Thr
Gly His Glu Ser
Gly His Ser Glu
Gly His Thr Asp
Gly Ser Cys Tyr
Gly Ser Glu His
Gly Ser His Glu
Gly Ser Tyr Cys
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Gly Thr His Asp
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Gly Tyr Ser Cys
His Ala Asp Ser
His Ala Ser Asp
His Asp Ala Ser
His Asp Gly Thr
His Asp Ser Ala
His Asp Thr Gly
His Glu Gly Ser
His Glu Ser Gly
His Gly Asp Thr
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His Gly Ser Glu
His Gly Thr Asp
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His Ser Asp Ala
His Ser Glu Gly
His Ser Gly Glu
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His Thr Gly Asp
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Ser Gly Glu His
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ptelatoside b
b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose
Vinylphenol, O-[L-Rhamnopyranosyl-(1-6)-�-D-glucopyranoside
2-(2-methoxyethoxy)ethyl 4-[(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl)azo]benzoate
ethyl 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
(3AR,4R,5R,6AS)-4-((E)-3,3-DIFLUORO-4-PHENOXYBUT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE
ethyl 6-fluoro-1-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
2-(trimethylsilyl)ethoxymethyltriphenylphosphonium chloride
benzene-1,4-diamine,5-(1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione
5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-(4-methylphenyl)sulfanylpyridine-3-carboxamide
2-benzofuran-1,3-dione,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol
2-Oxo-3-{[2-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}-2,3-dihydro-1H-benzimidazole-4-carboxylic acid
2,2-(3-Bromo-4-methylthiophene-2,5-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
1-(4-nitrophenoxy)-2-[2-(4-nitrophenoxy)phenyl]benzene
1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]propan-1-one
Halobetasol
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
Benzoic acid, 2-((3S,4R)-3,4-dihydro-4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl)-4-(trifluoromethyl)-
(R)-3-((N-(1-(4-fluorophenyl)ethyl)quinoline-3-carboxamido)methyl)benzoic acid
3-Phenyl-3-({[4-(4-pyridin-4-ylphenyl)thien-2-YL]carbonyl}amino)propanoic acid
5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SB 243213 is an orally active, selective and high-affinity 5-HT2C receptor antagonist with a pKi of 9.37 and a pKb of 9.8 for human 5-HT2C receptor. SB 243213 shows greater than a 100-fold selectivity over a wide range of neurotransmitter receptors, enzymes and ion channels. SB 243213 has improved anxiolytic profile and has the potential for schizophrenia and motor disorders[1].
methyl 2-[2-chloro-6-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate
SJ-172550 is a small molecule inhibitor of MDMX; competes for the wild type p53 peptide binding to MDMX with an EC50 of 5 μM.
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
15-(1,3-Dihydroxy-3-methylbutyl)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
2-[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]-N-[(1r)-1-(Hydroxymethyl)propyl]acetamide
2-[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]-N-[(1s)-1-(Hydroxymethyl)propyl]acetamide
(3s)-3-Cyclopentyl-6-Methyl-7-[(4-Methylpiperazin-1-Yl)sulfonyl]-3,4-Dihydro-2h-1,2,4-Benzothiadiazine 1,1-Dioxide
Miricorilant
C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C183052 - Glucocorticoid Receptor Antagonist C147908 - Hormone Therapy Agent
2-[[6-(4-Ethenylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
(2S)-2-[(2R,3R,4R,5S,6R)-3-[[(2R)-2-amino-3-(hydroxymethylsulfanyl)propanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
2-(3-Phenylprop-2-enoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
rostratin A
An organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity.
brevipolide A
A pyranone that is a carboxylic ester of trans-4-coumaric acid. It is isolated from the whole plant of Hyptis brevipes and has been found to exhibit cytotoxicity against HT-29 cancer cells.
2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide
2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside
N-(3,4-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
3-[(4-Methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
3-[[Oxo-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methoxy]methyl]benzoic acid ethyl ester
2-[[2-[(4-Methoxyphenyl)methyl]-1,3-dioxo-4-isoquinolinylidene]methylamino]benzoic acid
ethyl {1-[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-3-oxopiperazin-2-yl}acetate
3-(2-Methoxy-ethyl)-11-{[1-(3-methoxy-phenyl)-meth-(E)-ylidene]-amino}-3,11-dihydro-1,3,5,10,11-pent aaza-benzo[b]fluoren-4-one
S-butyryl-4-phosphopantetheine
An S-acyl-4-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4-phosphate with the carboxy group of butyric acid.
N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide
N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
[2-(3-Chlorophenyl)-4-quinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
ethyl 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
N-(2,3-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
4-Oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
3-(1,3-Dioxo-2-isoindolyl)propanoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methoxy]-N,N-dimethyl-5-benzotriazolesulfonamide
[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
N-(2,4-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamide
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone
N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamide
Cinnamyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
(6S,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
N-[2-[(2R,5S,6R)-5-(1,3-benzodioxole-5-carbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
(1R,9S,10S,11S)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-6-oxo-N-(1,3-thiazol-2-yl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[2-[(2S,5R,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide
N-[2-[(2S,5R,6R)-5-(1,3-benzodioxole-5-carbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
(1S,9R,10R,11R)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-6-oxo-N-(1,3-thiazol-2-yl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[2-[(2R,5R,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide
N-[2-[(2S,5S,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
(1R,5S)-N-(4-chlorophenyl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
(6S,7S,8S)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
N-[2-[(2R,5R,6R)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide
N-[2-[(2R,5S,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide
N-[2-[(2S,5S,6R)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
(1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
(6R,7R,8S)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
6-[2-(Carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(Carboxymethyl)-3,5-dihydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
beta-D-Glucopyranoside, 4-ethenylphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-
1-(Methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate
Hydroxy ziprasidone
Hydroxy ziprasidone is an impurity of Ziprasidone[1]. Ziprasidone, an antipsychotic agent, is a combined 5-HT (serotonin) and dopamine receptor antagonist[2].
Valopicitabine (dihydrochloride)
Valopicitabine (NM283) dihydrochloride is a nucleoside analog and the orally bioavailable proagent of the potent anti-HCV agent 2'-C-methylcytidine (NM107). NM107competitively inhibits NS5B polymerase, causing chain termination[1][2].
3-[(2r)-2-(2-hydroxypropan-2-yl)-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
(2s,3s)-2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
(1r,6r,13r)-13-hydroxy-6-(2-hydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,8,10,14(19),15,17-hexaen-12-one
2-methoxy-8-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl acetate
2,3,11,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-4-one
(2r)-1-[(1s,2s)-2-[(s)-(acetyloxy)[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
(4s,6r,6as,9r,10s,10ar)-6-(acetyloxy)-6a,9,10-trihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-4h,5h,7h,8h,10h-naphtho[4a,4-b]furan-4-yl acetate
(1s,2s,3s,6s,8r,9s)-2-benzoyl-1,3,8-trihydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
methyl (1s,2r,4r)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
6-(benzoyloxy)-2-[(benzoyloxy)methyl]-2,3-dihydroxyhex-4-en-1-yl acetate
5,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one
(2s,3r,4r)-2,3,4-trihydroxy-5-{[4-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-methylidene-8h-naphthalen-2-yl]oxy}pentanal
4,12-bis(but-2-en-2-yl)-5-chloro-6-hydroxy-14-methoxy-7,15-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}oxan-2-yl]methyl (2s)-3-hydroxy-2-methylpropanoate
(10r,11r,15r)-8-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),2,7-trien-12-one
[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-3-yl]methyl acetate
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2z)-3-phenylprop-2-en-1-yl]oxy}oxane-3,4,5-triol
3-{[(8s)-6,15,16-trimethoxy-12-oxo-11-oxa-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,13,15-heptaen-8-yl]sulfanyl}propanimidic acid
2-[(3,4-dihydroxy-5-{4-imino-3h,5h-pyrrolo[3,2-d]pyrimidin-7-yl}oxolan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
6-hydroxy-14-methoxy-10-oxo-12-(2-oxopentyl)-4-propyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylic acid
(4r)-4-[(s)-(7-methoxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]-3-methylideneoxolan-2-one
5,7-dihydroxy-2-{3-[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]-4-methoxyphenyl}-3,6-dimethoxychromen-4-one
(1'S,6'R)-8'-hydroxyabscisic acid-β-D-glucoside
{"Ingredient_id": "HBIN003318","Ingredient_name": "(1'S,6'R)-8'-hydroxyabscisic acid-\u03b2-D-glucoside","Alias": "NA","Ingredient_formula": "C20H28O10","Ingredient_Smile": "CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42430","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-pteroside k
{"Ingredient_id": "HBIN006825","Ingredient_name": "(2s)-pteroside k","Alias": "NA","Ingredient_formula": "C21H29ClO7","Ingredient_Smile": "CC1=C(C(=C2C(=C1)CC(C2=O)(C)COC3C(C(C(C(O3)CO)O)O)O)C)CCCl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "18108","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,7-dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-5,6,4'-trimethoxyflavone
{"Ingredient_id": "HBIN007773","Ingredient_name": "3,7-dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-5,6,4'-trimethoxyflavone","Alias": "NA","Ingredient_formula": "C23H24O8","Ingredient_Smile": "CC(=C)C(CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)OC)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5915","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta-peltatin a methyl ether
{"Ingredient_id": "HBIN018226","Ingredient_name": "beta-peltatin a methyl ether","Alias": "\u03b2-peltatin a methyl ether","Ingredient_formula": "C23H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)OC)COC3=O","Ingredient_weight": "428.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30332;16785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "118701100","DrugBank_id": "NA"}