Exact Mass: 428.1811248
Exact Mass Matches: 428.1811248
Found 269 metabolites which its exact mass value is equals to given mass value 428.1811248
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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.
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)
Capivasertib
C21H25ClN6O2 (428.17274199999997)
Miricorilant
C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C183052 - Glucocorticoid Receptor Antagonist C147908 - Hormone Therapy Agent
Cratoxylone
Larotrectinib
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].
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
(+)-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
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
[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
[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
[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\\%
Ala Ala His Met
C17H28N6O5S (428.18417980000004)
Ala Ala Met His
C17H28N6O5S (428.18417980000004)
Ala Cys His Val
C17H28N6O5S (428.18417980000004)
Ala Cys Val His
C17H28N6O5S (428.18417980000004)
Ala His Ala Met
C17H28N6O5S (428.18417980000004)
Ala His Cys Val
C17H28N6O5S (428.18417980000004)
Ala His Met Ala
C17H28N6O5S (428.18417980000004)
Ala His Val Cys
C17H28N6O5S (428.18417980000004)
Ala Met Ala His
C17H28N6O5S (428.18417980000004)
Ala Met His Ala
C17H28N6O5S (428.18417980000004)
Ala Val Cys His
C17H28N6O5S (428.18417980000004)
Ala Val His Cys
C17H28N6O5S (428.18417980000004)
Cys Ala His Val
C17H28N6O5S (428.18417980000004)
Cys Ala Val His
C17H28N6O5S (428.18417980000004)
Cys Gly His Ile
C17H28N6O5S (428.18417980000004)
Cys Gly His Leu
C17H28N6O5S (428.18417980000004)
Cys Gly Ile His
C17H28N6O5S (428.18417980000004)
Cys Gly Leu His
C17H28N6O5S (428.18417980000004)
Cys His Ala Val
C17H28N6O5S (428.18417980000004)
Cys His Gly Ile
C17H28N6O5S (428.18417980000004)
Cys His Gly Leu
C17H28N6O5S (428.18417980000004)
Cys His Ile Gly
C17H28N6O5S (428.18417980000004)
Cys His Leu Gly
C17H28N6O5S (428.18417980000004)
Cys His Val Ala
C17H28N6O5S (428.18417980000004)
Cys Ile Gly His
C17H28N6O5S (428.18417980000004)
Cys Ile His Gly
C17H28N6O5S (428.18417980000004)
Cys Leu Gly His
C17H28N6O5S (428.18417980000004)
Cys Leu His Gly
C17H28N6O5S (428.18417980000004)
Cys Val Ala His
C17H28N6O5S (428.18417980000004)
Cys Val His Ala
C17H28N6O5S (428.18417980000004)
Asp Pro Pro Thr
Asp Pro Thr Pro
Asp Thr Pro Pro
Glu Pro Pro Ser
Glu Pro Ser Pro
Glu Ser Pro Pro
Gly Cys His Ile
C17H28N6O5S (428.18417980000004)
Gly Cys His Leu
C17H28N6O5S (428.18417980000004)
Gly Cys Ile His
C17H28N6O5S (428.18417980000004)
Gly Cys Leu His
C17H28N6O5S (428.18417980000004)
Gly His Cys Ile
C17H28N6O5S (428.18417980000004)
Gly His Cys Leu
C17H28N6O5S (428.18417980000004)
Gly His Ile Cys
C17H28N6O5S (428.18417980000004)
Gly His Leu Cys
C17H28N6O5S (428.18417980000004)
Gly Ile Cys His
C17H28N6O5S (428.18417980000004)
Gly Ile His Cys
C17H28N6O5S (428.18417980000004)
Gly Leu Cys His
C17H28N6O5S (428.18417980000004)
Gly Leu His Cys
C17H28N6O5S (428.18417980000004)
His Ala Ala Met
C17H28N6O5S (428.18417980000004)
His Ala Cys Val
C17H28N6O5S (428.18417980000004)
His Ala Met Ala
C17H28N6O5S (428.18417980000004)
His Ala Val Cys
C17H28N6O5S (428.18417980000004)
His Cys Ala Val
C17H28N6O5S (428.18417980000004)
His Cys Gly Ile
C17H28N6O5S (428.18417980000004)
His Cys Gly Leu
C17H28N6O5S (428.18417980000004)
His Cys Ile Gly
C17H28N6O5S (428.18417980000004)
His Cys Leu Gly
C17H28N6O5S (428.18417980000004)
His Cys Val Ala
C17H28N6O5S (428.18417980000004)
His Gly Cys Ile
C17H28N6O5S (428.18417980000004)
His Gly Cys Leu
C17H28N6O5S (428.18417980000004)
His Gly Ile Cys
C17H28N6O5S (428.18417980000004)
His Gly Leu Cys
C17H28N6O5S (428.18417980000004)
His Ile Cys Gly
C17H28N6O5S (428.18417980000004)
His Ile Gly Cys
C17H28N6O5S (428.18417980000004)
His Leu Cys Gly
C17H28N6O5S (428.18417980000004)
His Leu Gly Cys
C17H28N6O5S (428.18417980000004)
His Met Ala Ala
C17H28N6O5S (428.18417980000004)
His Val Ala Cys
C17H28N6O5S (428.18417980000004)
His Val Cys Ala
C17H28N6O5S (428.18417980000004)
Ile Cys Gly His
C17H28N6O5S (428.18417980000004)
Ile Cys His Gly
C17H28N6O5S (428.18417980000004)
Ile Gly Cys His
C17H28N6O5S (428.18417980000004)
Ile Gly His Cys
C17H28N6O5S (428.18417980000004)
Ile His Cys Gly
C17H28N6O5S (428.18417980000004)
Ile His Gly Cys
C17H28N6O5S (428.18417980000004)
Leu Cys Gly His
C17H28N6O5S (428.18417980000004)
Leu Cys His Gly
C17H28N6O5S (428.18417980000004)
Leu Gly Cys His
C17H28N6O5S (428.18417980000004)
Leu Gly His Cys
C17H28N6O5S (428.18417980000004)
Leu His Cys Gly
C17H28N6O5S (428.18417980000004)
Leu His Gly Cys
C17H28N6O5S (428.18417980000004)
Met Ala Ala His
C17H28N6O5S (428.18417980000004)
Met Ala His Ala
C17H28N6O5S (428.18417980000004)
Met His Ala Ala
C17H28N6O5S (428.18417980000004)
Pro Asp Pro Thr
Pro Asp Thr Pro
Pro Glu Pro Ser
Pro Glu Ser Pro
Pro Pro Asp Thr
Pro Pro Glu Ser
Pro Pro Ser Glu
Pro Pro Thr Asp
Pro Ser Glu Pro
Pro Ser Pro Glu
Pro Thr Asp Pro
Pro Thr Pro Asp
Ser Glu Pro Pro
Ser Pro Glu Pro
Ser Pro Pro Glu
Thr Asp Pro Pro
Thr Pro Asp Pro
Thr Pro Pro Asp
Val Ala Cys His
C17H28N6O5S (428.18417980000004)
Val Ala His Cys
C17H28N6O5S (428.18417980000004)
Val Cys Ala His
C17H28N6O5S (428.18417980000004)
Val Cys His Ala
C17H28N6O5S (428.18417980000004)
Val His Ala Cys
C17H28N6O5S (428.18417980000004)
Val His Cys Ala
C17H28N6O5S (428.18417980000004)
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
3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol
Edulisin V
3-Isomangostin Hydrate
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.
6-Des(1-methyl-2-benzimidazolyl)-6-carboxy Telmisartan
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, dipotassium salt
C21H34K2O4 (428.17311240000004)
ADL5859 HCl
C24H29ClN2O3 (428.18665940000005)
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
C19H33NaO7S (428.1844588000001)
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
Miricorilant
C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C183052 - Glucocorticoid Receptor Antagonist C147908 - Hormone Therapy Agent
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
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.
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-methoxybenzamide
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidinylidene)amino]acetamide
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
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)
[(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
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
C23H28N2O4S (428.17696880000005)
[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
3,6,8-trihydroxy-1-[(3s)-3-hydroxy-3,7-dimethyloct-6-en-1-yl]-2-methoxyxanthen-9-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
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
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
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"}