Exact Mass: 428.1736
Exact Mass Matches: 428.1736
Found 500 metabolites which its exact mass value is equals to given mass value 428.1736
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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.
Pyridinoline
Derived from collagen cross-links formed between adjacent hydroxylysine residues in type I and type II collagen of bone and cartilage respectively. Released into serum during bone resorption Pyridinoline is a breakdown product of bone collagen. It can be used as a bone marker to measure osteoclastic activity.
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
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].
Isomajdine
D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids Annotation level-1
trans-p-Ferulyl alcohol 4-O-[6-(2-methyl-3-hydroxypropionyl)] glucopyranoside
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
3beta-hydroxy-8alpha-(3,4-dimethoxybenzoyloxy)-11beta,13-dihydro-1alphaH,5alphaH,6betaH,7alphaH-guai-4(15),10(14)-dien-6,12-olide
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
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
(2R,4S)-2-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-2,4-pentanediol
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(S)-Angeroyloxy-4(R)-isovaleryloxy-3,4-dihydroxanthyletin (Praeruptorin III)|AD-I
6beta-angeloyloxy-9beta-methacryloyloxy-8-epizinamultifluoride
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
[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
[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]
[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\\%
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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
ADL5859 HCl
ADL-5859 hydrochloride (compound 20) is a selective and orally active δ opioid receptor (DOR) agonist with an Ki and an EC50 value of 0.84 and 20 nM, respectively. ADL-5859 hydrochloride also shows inhibitory activity to hERG channel with an IC50 value of 78 μM. ADL-5859 hydrochloride can be used for the research of pain[1][2].
butanedioic acid,sulfo-,4-dodecyl 1-(2-propenyl)ester,sodium salt
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
(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.
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
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-methoxybenzamide
[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidinylidene)amino]acetamide
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
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
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,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(2-pyridinyl)ethanone
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
[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
(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,3S)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(2-pyridinyl)ethanone
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
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.
GSK2194069
GSK2194069 is a potent inhibitor of β-ketoyl reductase (KR) of fatty acid synthase (FASN), with an IC50 value of 7.7 nM. GSK2194069 shows specifically inhibitory effect on FAS expressing cancer cells, by acting potent efficacy on acetoacetyl-CoA, NADPH with IC50 or Ki values of 4.8 nM and 5.6 nM, respectively[1][2][3].
(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
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
(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
[(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
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
(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'(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"}