Exact Mass: 428.137215
Exact Mass Matches: 428.137215
Found 500 metabolites which its exact mass value is equals to given mass value 428.137215,
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
Furcatin
C20H28O10 (428.16823880000004)
A disaccharide derivative that is beta-D-apiofuranosyl-(1->6)-D-glucopyranose with a 4-(prop-2-en-1-yl)phenyl group substituent.
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.
1-Hydroxy-13-O-acetyl-N-methylcanadine
C23H26NO7+ (428.17091860000005)
Garcinone D
Garcinone D is a natural product found in Garcinia morella, Garcinia dulcis, and other organisms with data available. From Garcinia mangostana (mangosteen). Garcinone D is found in fruits and purple mangosteen. Garcinone D is found in fruits. Garcinone D is from Garcinia mangostana (mangosteen).
3'-(1'-(3-Methylbutanoyl))-angeloyl vaginidiol
3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol is found in fats and oils. 3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol is a constituent of the roots of Angelica archangelica (angelica). Constituent of the roots of Angelica archangelica (angelica). 3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol is found in fats and oils, herbs and spices, and green vegetables.
Ptelatoside B
C20H28O10 (428.16823880000004)
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)
3-Isomangostin hydrate
3-Isomangostin hydrate is found in fruits. 3-Isomangostin hydrate is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 3-Isomangostin hydrate is found in fruits.
Artoflavanone
Artoflavanone is found in fruits. Artoflavanone is a constituent of Artocarpus heterophyllus (jackfruit)
Heteroflavanone B
Heteroflavanone B is found in fruits. Heteroflavanone B is a constituent of the root bark of Artocarpus heterophyllus (jackfruit). Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroflavanone B is found in jackfruit and fruits.
Edulisin V
Edulisin V is found in green vegetables. Edulisin V is a constituent of Angelica edulis. Constituent of Angelica edulis. Edulisin V is found in green vegetables.
1-Isomangostin hydrate
1-Isomangostin hydrate is found in fruits. 1-Isomangostin hydrate is a constituent of Garcinia mangostana (mangosteen)
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
C21H25ClN6O2 (428.17274199999997)
Miricorilant
C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C183052 - Glucocorticoid Receptor Antagonist C147908 - Hormone Therapy Agent
Halobetasol
C22H27ClF2O4 (428.15658360000003)
rosavin
C20H28O10 (428.16823880000004)
Balipodect
C23H17FN6O2 (428.13969539999994)
wortmannin
trans-p-Ferulyl alcohol 4-O-[6-(2-methyl-3-hydroxypropionyl)] glucopyranoside
C20H28O10 (428.16823880000004)
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.
Cratoxylone
Larotrectinib
Rosavin
C20H28O10 (428.16823880000004)
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
C20H28O10 (428.16823880000004)
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].
Praeruptorin E
Praeruptorin E is a natural product found in Musineon divaricatum with data available. Praeruptorin E is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.2[1]. Praeruptorin E is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.2[1].
Cratoxylone
Cratoxylone is a natural product found in Garcinia cowa, Pentadesma butyracea, and other organisms with data available.
Wulongensin A
Praeruptorin C is a natural product found in Musineon divaricatum with data available. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1]. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1].
Praeruptorin
Praeruptorin C is a natural product found in Musineon divaricatum with data available. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1]. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1].
Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
trans-p-Ferulyl alcohol 4-O-[6-(2-methyl-3-hydroxypropionyl)] glucopyranoside
C20H28O10 (428.16823880000004)
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.
Derrisin
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
(13S,14R)-1-Hydroxy-13-O-acetyl-N-methylcanadine
C23H26NO7+ (428.17091860000005)
O1-Cinnamoyl-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enehydroximamide
2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside
C20H28O10 (428.16823880000004)
(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
C20H28O10 (428.16823880000004)
5-O-alpha-D-Glucopyranoside-9-Deazaadenosine
C17H24N4O9 (428.15432139999996)
3,6,8-trihydroxy-1-[(2Z)-7-hydroxy-3,7-dimethyloct-2-en-1-yl]-2-methoxy-9H-xanthen-9-one|butyraxanthone D
1-Butanoyl-2,4,5,7,8-pentamethoxy-anthrachinon|1-Butyryl-2,4,5,7,8-pentamethoxy-anthrachinon
3beta-hydroxy-8alpha-(3,4-dimethoxybenzoyloxy)-11beta,13-dihydro-1alphaH,5alphaH,6betaH,7alphaH-guai-4(15),10(14)-dien-6,12-olide
3,7-Dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-4,5,6-trimethoxyflavone
3-[[5,7-dihydroxy-2,2-dimethyl-6-(2-methyl-1-oxopropyl)-2 h -1-benzopyran-8-yl]-methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
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
C20H28O10 (428.16823880000004)
(-)-1,2-diacetyl-4,5-diangelyl-d (or l)-inositol
C20H28O10 (428.16823880000004)
(+)-cis-(3S,4S)-3,4-diisovalerylkhellactone|peujaponisin
(1alpha,2beta,3alpha)-Tribenzoyl-4-Cyclopentene-1,2,3-triol
3-[[2,3-dihydro-4,6-dihydroxy-2-(1-methylethenyl)-5-(2-methyl-1-oxopropyl)-7-benzofuranyl]methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
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
C20H28O10 (428.16823880000004)
phenethyl 6-O-[(S)-3-hydroxy-3-methylglutaroyl]-beta-D-glucopyranoside|undatuside C
C20H28O10 (428.16823880000004)
(-)-(E)-4-hydroxyphenylpropene 4-O-beta-L-xylopyranosyl-(1?6)-beta-D-glucopyranoside
C20H28O10 (428.16823880000004)
(-)-(E)-4-hydroxyphenylpropene 4-O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranoside
C20H28O10 (428.16823880000004)
(5E,8Z,14Z)-6-iodoicosa-5,8,14-trien-11-ynoic acid
C20H29IO2 (428.12122039999997)
(-)-(E)-4-hydroxyphenylpropene 4-O-alpha-L-apiosyl-(1?6)-beta-D-glucopyranoside
C20H28O10 (428.16823880000004)
(-)-(E)-4-hydroxyphenylpropene 4-O-alpha-L-apiosyl-(1?2)-beta-D-glucopyranoside
C20H28O10 (428.16823880000004)
canthin-6-one-9-methoxy-5-O-beta-D-glucopyranoside
1,3,7,9-tetrahydroxy-2,8-dimethyl-4,6-di(2-methylbutanoyl)-dibenzofuran
7-O-beta-D-(6-O-malonyl)glucopyranosyl-5-methoxy-1(3H)-isobenzofuranone
C18H20O12 (428.09547200000003)
3,8-dihydroxy-11-oxo-1-pentanoyl-6-propyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid methyl ester|Conloxodin|Couloxodin
(-)-3-hydroxy-N-methylwelwitindolinone C isothiocyanate|3-hydroxy-N-methylwelwitindolinone C isothiocyanate
3(S)-Angeroyloxy-4(R)-isovaleryloxy-3,4-dihydroxanthyletin (Praeruptorin III)|AD-I
6beta-angeloyloxy-9beta-methacryloyloxy-8-epizinamultifluoride
Tubercidin 5-alpha-D-glucopyranose
C17H24N4O9 (428.15432139999996)
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
1ST157169
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].
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate
9,11,12a-trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
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 (428.16823880000004)
C20H28O10_2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside
C20H28O10 (428.16823880000004)
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
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
(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
C20H28O10 (428.16823880000004)
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
C20H28O10 (428.16823880000004)
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846900]
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based: Match]
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]
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate_major
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate_99.4\\%
(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\\%
C20H28O10 (428.16823880000004)
(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
C20H28O10 (428.16823880000004)
(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
C20H28O10 (428.16823880000004)
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
C20H28O10 (428.16823880000004)
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\\%
C20H28O10 (428.16823880000004)
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
C16H24N6O8 (428.16555439999996)
Ala Asp Ser His
C16H24N6O8 (428.16555439999996)
Ala His Asp Ser
C16H24N6O8 (428.16555439999996)
Ala His Ser Asp
C16H24N6O8 (428.16555439999996)
Ala Ser Asp His
C16H24N6O8 (428.16555439999996)
Ala Ser His Asp
C16H24N6O8 (428.16555439999996)
Cys Cys Phe Gly
Cys Cys Gly Phe
Cys Phe Cys Gly
Cys Phe Gly Cys
Cys Gly Cys Phe
Cys Gly Phe Cys
Cys Gly Ser Tyr
Cys Gly Tyr Ser
Cys Ser Gly Tyr
Cys Ser Tyr Gly
Cys Tyr Gly Ser
Cys Tyr Ser Gly
Asp Ala His Ser
C16H24N6O8 (428.16555439999996)
Asp Ala Ser His
C16H24N6O8 (428.16555439999996)
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- glucuronide
C18H20O12 (428.09547200000003)
Asp Gly His Thr
C16H24N6O8 (428.16555439999996)
Asp Gly Thr His
C16H24N6O8 (428.16555439999996)
Asp His Ala Ser
C16H24N6O8 (428.16555439999996)
Asp His Gly Thr
C16H24N6O8 (428.16555439999996)
Asp His Ser Ala
C16H24N6O8 (428.16555439999996)
Asp His Thr Gly
C16H24N6O8 (428.16555439999996)
Asp Ser Ala His
C16H24N6O8 (428.16555439999996)
Asp Ser His Ala
C16H24N6O8 (428.16555439999996)
Asp Thr Gly His
C16H24N6O8 (428.16555439999996)
Asp Thr His Gly
C16H24N6O8 (428.16555439999996)
Glu Gly His Ser
C16H24N6O8 (428.16555439999996)
Glu Gly Ser His
C16H24N6O8 (428.16555439999996)
Glu His Gly Ser
C16H24N6O8 (428.16555439999996)
Glu His Ser Gly
C16H24N6O8 (428.16555439999996)
Glu Ser Gly His
C16H24N6O8 (428.16555439999996)
Glu Ser His Gly
C16H24N6O8 (428.16555439999996)
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
C16H24N6O8 (428.16555439999996)
Gly Asp Thr His
C16H24N6O8 (428.16555439999996)
Gly Glu His Ser
C16H24N6O8 (428.16555439999996)
Gly Glu Ser His
C16H24N6O8 (428.16555439999996)
Gly Phe Cys Cys
Gly His Asp Thr
C16H24N6O8 (428.16555439999996)
Gly His Glu Ser
C16H24N6O8 (428.16555439999996)
Gly His Ser Glu
C16H24N6O8 (428.16555439999996)
Gly His Thr Asp
C16H24N6O8 (428.16555439999996)
Gly Ser Cys Tyr
Gly Ser Glu His
C16H24N6O8 (428.16555439999996)
Gly Ser His Glu
C16H24N6O8 (428.16555439999996)
Gly Ser Tyr Cys
Gly Thr Asp His
C16H24N6O8 (428.16555439999996)
Gly Thr His Asp
C16H24N6O8 (428.16555439999996)
Gly Tyr Cys Ser
Gly Tyr Ser Cys
His Ala Asp Ser
C16H24N6O8 (428.16555439999996)
His Ala Ser Asp
C16H24N6O8 (428.16555439999996)
His Asp Ala Ser
C16H24N6O8 (428.16555439999996)
His Asp Gly Thr
C16H24N6O8 (428.16555439999996)
His Asp Ser Ala
C16H24N6O8 (428.16555439999996)
His Asp Thr Gly
C16H24N6O8 (428.16555439999996)
His Glu Gly Ser
C16H24N6O8 (428.16555439999996)
His Glu Ser Gly
C16H24N6O8 (428.16555439999996)
His Gly Asp Thr
C16H24N6O8 (428.16555439999996)
His Gly Glu Ser
C16H24N6O8 (428.16555439999996)
His Gly Ser Glu
C16H24N6O8 (428.16555439999996)
His Gly Thr Asp
C16H24N6O8 (428.16555439999996)
His Ser Ala Asp
C16H24N6O8 (428.16555439999996)
His Ser Asp Ala
C16H24N6O8 (428.16555439999996)
His Ser Glu Gly
C16H24N6O8 (428.16555439999996)
His Ser Gly Glu
C16H24N6O8 (428.16555439999996)
His Thr Asp Gly
C16H24N6O8 (428.16555439999996)
His Thr Gly Asp
C16H24N6O8 (428.16555439999996)
Ser Ala Asp His
C16H24N6O8 (428.16555439999996)
Ser Ala His Asp
C16H24N6O8 (428.16555439999996)
Ser Cys Gly Tyr
Ser Cys Tyr Gly
Ser Asp Ala His
C16H24N6O8 (428.16555439999996)
Ser Asp His Ala
C16H24N6O8 (428.16555439999996)
Ser Glu Gly His
C16H24N6O8 (428.16555439999996)
Ser Glu His Gly
C16H24N6O8 (428.16555439999996)
Ser Gly Cys Tyr
Ser Gly Glu His
C16H24N6O8 (428.16555439999996)
Ser Gly His Glu
C16H24N6O8 (428.16555439999996)
Ser Gly Tyr Cys
Ser His Ala Asp
C16H24N6O8 (428.16555439999996)
Ser His Asp Ala
C16H24N6O8 (428.16555439999996)
Ser His Glu Gly
C16H24N6O8 (428.16555439999996)
Ser His Gly Glu
C16H24N6O8 (428.16555439999996)
Ser Tyr Cys Gly
Ser Tyr Gly Cys
Thr Asp Gly His
C16H24N6O8 (428.16555439999996)
Thr Asp His Gly
C16H24N6O8 (428.16555439999996)
Thr Gly Asp His
C16H24N6O8 (428.16555439999996)
Thr Gly His Asp
C16H24N6O8 (428.16555439999996)
Thr His Asp Gly
C16H24N6O8 (428.16555439999996)
Thr His Gly Asp
C16H24N6O8 (428.16555439999996)
Tyr Cys Gly Ser
Tyr Cys Ser Gly
Tyr Gly Cys Ser
Tyr Gly Ser Cys
Tyr Ser Cys Gly
Tyr Ser Gly Cys
A 922500
A 922500 (DGAT-1 Inhibitor 4a) is a potent, selective, and orally bioavailable diacylglycerol acyltransferase 1 (DGAT-1) inhibitor with IC50s of 9 and 22 nM against human and mouse DGAT-1, respectively.
1-Isomangostin hydrate
Artoflavanone
garcinone D
ptelatoside b
C20H28O10 (428.16823880000004)
3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol
Edulisin V
b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-L-arabinose
3-Isomangostin Hydrate
Vinylphenol, O-[L-Rhamnopyranosyl-(1-6)-�-D-glucopyranoside
C20H28O10 (428.16823880000004)
8,8-Dimethyl-9-[(3-methylbutanoyl)oxy]-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl 3-methyl-2-butenoate
Capivasertib
C21H25ClN6O2 (428.17274199999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Capivasertib (AZD5363) is an orally active and potent pan-AKT kinase inhibitor with IC50 of 3, 7 and 7 nM for Akt1,Akt2 and Akt3, respectively.
2-(2-methoxyethoxy)ethyl 4-[(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl)azo]benzoate
4,4-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline]
Benzoic acid,2-hydroxy-, tributylstannyl ester
C19H32O3Sn (428.13733119999995)
6-Des(1-methyl-2-benzimidazolyl)-6-carboxy Telmisartan
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
C24H22F2O5 (428.14352260000004)
ethyl 6-fluoro-1-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, dipotassium salt
C21H34K2O4 (428.17311240000004)
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
C20H20N4O5S (428.11543500000005)
2-benzofuran-1,3-dione,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol
C19H24O11 (428.13185539999995)
LOXO-101
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155765 - TRK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
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)
C17H27B2BrO4S (428.09994220000004)
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
C22H27ClF2O4 (428.15658360000003)
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)-
C24H19F3O4 (428.12353700000006)
(R)-3-((N-(1-(4-fluorophenyl)ethyl)quinoline-3-carboxamido)methyl)benzoic acid
Balipodect
C23H17FN6O2 (428.13969539999994)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
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
C22H21ClN2O5 (428.11389260000004)
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
Methyl 4-Bromo-N-[8-(Hydroxyamino)-8-Oxooctanoyl]-L-Phenylalaninate
(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
C20H28O10 (428.16823880000004)
2-Methyl-1-[1,3,7,9-tetrahydroxy-4,6-dimethyl-8-(2-methyl-1-oxobutyl)-2-dibenzofuranyl]-1-butanone
3-Methyl-1-[1,3,7,9-tetrahydroxy-2,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-dibenzofuranyl]-1-butanone
(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
C20H28O10 (428.16823880000004)
A922500
A 922500 (DGAT-1 Inhibitor 4a) is a potent, selective, and orally bioavailable diacylglycerol acyltransferase 1 (DGAT-1) inhibitor with IC50s of 9 and 22 nM against human and mouse DGAT-1, respectively.
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
C20H29ClN2O4S (428.15364640000007)
2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside
C20H28O10 (428.16823880000004)
N-(3,4-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide
3-[(4-Methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
C21H20N2O6S (428.10420200000004)
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
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
ethyl {1-[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]-3-oxopiperazin-2-yl}acetate
C20H20N4O5S (428.11543500000005)
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
C15H29N2O8PS (428.13821640000003)
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
C20H20N4O3S2 (428.09767700000003)
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
C20H20N4O5S (428.11543500000005)
[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
C20H20N4O5S (428.11543500000005)
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
C20H20N4O3S2 (428.09767700000003)
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
C20H20N4O3S2 (428.09767700000003)
Cinnamyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
C20H28O10 (428.16823880000004)
(6S,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H21FN2O4S (428.12059980000004)
(6S,7S,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H21FN2O4S (428.12059980000004)
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
C22H21FN2O4S (428.12059980000004)
1-[(2S,3S)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
C23H28N2O4S (428.17696880000005)
1-[(2R,3S)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
C23H28N2O4S (428.17696880000005)
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
C22H21FN2O4S (428.12059980000004)
(6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C22H21FN2O4S (428.12059980000004)
1-[(2S,3R)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
C23H28N2O4S (428.17696880000005)
6-[2-(Carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
C19H24O11 (428.13185539999995)
6-[4-(Carboxymethyl)-3,5-dihydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
C19H24O11 (428.13185539999995)
beta-D-Glucopyranoside, 4-ethenylphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-
C20H28O10 (428.16823880000004)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] hexanoate
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] heptanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] octanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] nonanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] hexanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] octanoate
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] heptanoate
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
cratoxylumxanthone C
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 6 and 7, 3-methylbut-2-en-1-yl group at position 2, methoxy group at position 3, and a 3-hydroxy-3-methylbutyl group at position 8. It is isolated from the stems of Cratoxylum cochinchinense and exhibits anticancer activity.
Hydroxy ziprasidone
C21H21ClN4O2S (428.10736760000003)
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].
(9r,10r)-8,8-dimethyl-10-[(3-methylbutanoyl)oxy]-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl (2z)-2-methylbut-2-enoate
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
C20H28O10 (428.16823880000004)
(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
3,6,8-trihydroxy-1-[(3s)-3-hydroxy-3,7-dimethyloct-6-en-1-yl]-2-methoxyxanthen-9-one
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
C20H28O10 (428.16823880000004)
(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
C20H28O10 (428.16823880000004)
(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
C20H28O10 (428.16823880000004)
(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
9-chloro-4,6-dihydroxy-12-methyl-12-(4-methylpent-3-en-1-yl)-15-(propan-2-ylidene)-11-oxatetracyclo[8.6.0.0¹,¹³.0²,⁷]hexadeca-2,4,6,9-tetraen-8-one
C25H29ClO4 (428.17542640000005)
(9s,10s)-8,8-dimethyl-9-[(3-methylbutanoyl)oxy]-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl 3-methylbut-2-enoate
(2s)-5-hydroxy-7-methoxy-8-(3-methylbut-2-en-1-yl)-2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(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
C20H28O10 (428.16823880000004)
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
C21H20N2O6S (428.10420200000004)
2-[(8r,9s)-9-{[(2r)-2-methylbutanoyl]oxy}-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl (2e)-2-methylbut-2-enoate
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
C17H24N4O9 (428.15432139999996)