Exact Mass: 428.1656
Exact Mass Matches: 428.1656
Found 500 metabolites which its exact mass value is equals to given mass value 428.1656
,
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
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
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.
Capivasertib
Miricorilant
C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C183052 - Glucocorticoid Receptor Antagonist C147908 - Hormone Therapy Agent
Halobetasol
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.
Cratoxylone
Larotrectinib
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].
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].
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
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
(+)-cis-(3S,4S)-3,4-diisovalerylkhellactone|peujaponisin
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
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
(-)-(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
1,3,7,9-tetrahydroxy-2,8-dimethyl-4,6-di(2-methylbutanoyl)-dibenzofuran
3,8-dihydroxy-11-oxo-1-pentanoyl-6-propyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid methyl ester|Conloxodin|Couloxodin
3(S)-Angeroyloxy-4(R)-isovaleryloxy-3,4-dihydroxanthyletin (Praeruptorin III)|AD-I
6beta-angeloyloxy-9beta-methacryloyloxy-8-epizinamultifluoride
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].
[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
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
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
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
[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\\%
(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
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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
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
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
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
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
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
2-(trimethylsilyl)ethoxymethyltriphenylphosphonium chloride
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
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
(R)-3-((N-(1-(4-fluorophenyl)ethyl)quinoline-3-carboxamido)methyl)benzoic acid
1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
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
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
2-(3-Phenylprop-2-enoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
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.
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
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
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
[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
Cinnamyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
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
1-[(2S,3S)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
1-[(2R,3S)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
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
1-[(2S,3R)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
beta-D-Glucopyranoside, 4-ethenylphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-
[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.
(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
(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
(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
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
[(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
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
(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
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-methyl-1-[3,5,11,13-tetrahydroxy-6,10-dimethyl-12-(2-methylbutanoyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]butan-1-one
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"}
3'(s)-angeroyloxy-4'(r)-isovaleryloxy-3',4'-di-hydroxanthyletin
{"Ingredient_id": "HBIN009717","Ingredient_name": "3'(s)-angeroyloxy-4'(r)-isovaleryloxy-3',4'-di-hydroxanthyletin","Alias": "NA","Ingredient_formula": "C24H28O7","Ingredient_Smile": "CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1239","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"}