Exact Mass: 444.2108
Exact Mass Matches: 444.2108
Found 260 metabolites which its exact mass value is equals to given mass value 444.2108
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Mitoxantrone
Mitoxantrone is only found in individuals that have used or taken this drug. It is an anthracenedione-derived antineoplastic agent.Mitoxantrone, a DNA-reactive agent that intercalates into deoxyribonucleic acid (DNA) through hydrogen bonding, causes crosslinks and strand breaks. Mitoxantrone also interferes with ribonucleic acid (RNA) and is a potent inhibitor of topoisomerase II, an enzyme responsible for uncoiling and repairing damaged DNA. It has a cytocidal effect on both proliferating and nonproliferating cultured human cells, suggesting lack of cell cycle phase specificity. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances > L01DB - Anthracyclines and related substances C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors Same as: D08224
Austalide J
Austalide J is a mycotoxin of the food storage mould (Aspergillus ustus Mycotoxin of the food storage mould (Aspergillus ustus)
Banoxantrone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
VIBEGRON
Aurantiamideacetate
Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from?Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of ?inflammatory?diseases[1][2]. Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from?Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of ?inflammatory?diseases[1][2].
[4S-[4alpha(Z),4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-4,6-bis[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
3alpha-Angeloyloxy-2alpha,4beta-dihydroxy-15,16-epoxy-cis-clerodane-1(10),13(16),14-trien-20,12-olide
6beta-Angeloyloxy-10beta-hydroxy-3alpha,4alpha,15,16-bisepoxy-8betaH-cleroda-13(16),14-diene-20,12-olide
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0(3),(1)(1).0,.0(1),(2)]docosa-3(11),4,9-triene-8,17-dione
1alpha-Hydroxy-3beta-senecioyloxy-6-O-tigloylsteiractinolid
8beta-5-(4-hydroxytigloyloxy)-tigloyloxy costunolide|8beta-5-<4-hydroxytigloyloxy>-tigloyloxy costunolide
3-[[2,4-dihydroxy-6-methoxy-5-(3-methyl-2-butenyl)-3-(2-methyl-1-oxopropyl)phenyl]-methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
8-beta-(5-angeloyloxy)-tigloyloxyparthenolide|8-beta-<5-angeloyloxy>-tigloyloxyparthenolide
11alpha-angeloyloxy-1beta,2beta-epoxy-3beta-senecioyloxy-5betaH,6alphaH,7alphaH,10alphaMe-eudesm-4(15)-en-6,12-olide
1alpha-Hydroxy-6-O-tigloyl-3beta-tigloyloxysteiractinolid
3-[[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)phenyl]-methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
(5beta,6beta,7beta,8alpha,11alpha)-11-(angeloyloxy)-8-(isovaleryloxy)-2-oxoguaia-1(10),3-dieno-6,12-lactone|daucoguaianolactone A|rel-(3R,3aS,4R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-4-(3-methyl-1-oxobutoxy)-2,7-dioxo-azuleno[4,5-b]furan-3-yl (2Z)-2-methylbut-2-enoate
6beta-angeloyloxy-9beta-(2-methylbutyryloxy)-8-epizinamultifluoride|6beta-angeloyloxy-9beta-<2-methylbutyryloxy>-8-epizinamultifluoride
(5beta,6beta,7beta,8alpha,11alpha)-8-(angeloyloxy)-11-[(2-methylbutyryl)oxy]-2-oxo-guaia-1(10),3-dieno-6,12-lactone|daucoguaianolactone E|rel-(3R,3aS,4R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-3-(2-methyl-1-oxobutoxy)-2,7-dioxo-azuleno[4,5-b]furan-4-yl (2Z)-2-methylbut-2-enoate
2beta,8alpha-di-angeloyloxy-10beta-hydroxy-6alphaH-guaian-3,(7-11)-dien-12,6-olide
1beta,3beta,5beta,14beta-tetrahydroxy-19-oxocard-20(22)-en-23,21-olide 1,3,5-orthoacetate|kalantubolide A
3alpha-angeloyloxy-4beta,10beta-dihydroxy-15,16-epoxy-cis-clerodane-8(17),13(16),14-trien-20,12-olide
1beta,3beta,5beta,14beta-tetrahydroxy-19-oxocard-20(22)-en-21,23-olide 1,3,5-orthoacetate|kalantubolide B
14-acetoxy-2alpha-isovaleryloxy-cacalol propionate
6beta-(2-Methylbutyryloxy)-isochiliolide lactone|6beta-<2-Methylbutyryloxy>-isochiliolide lactone
hesseltin A
An organic heteropentacyclic compound with a mixed polyketide-terpenoid origin isolated from Penicillium hesseltinei. It has been shown to exhibit antiviral activity.
3beta,6beta-bis(angeloyloxy)furanoeremophilan-15-oic acid
(5beta,6beta,7beta,8alpha,11alpha)-11-(angeloyloxy)-8-[(2-methylbutyryl)oxy]-2-oxo-guaia-1(10),3-dieno-6,12-lactone|daucoguaianolactone D|rel-(3R,3aS,4R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-2,7-dioxo-azuleno[4,5-b]furan-3-yl (2Z)-2-methylbut-2-enoate
2Z6NA534YE
Aurantiamide acetate is a member of amphetamines. Aurantiamide acetate is a natural product found in Pteris multifida, Orthosiphon aristatus, and other organisms with data available. Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from?Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of ?inflammatory?diseases[1][2]. Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from?Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of ?inflammatory?diseases[1][2].
Aurantiamide acetate
CONFIDENCE Culture of Penicillium eurotium strain Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from?Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of ?inflammatory?diseases[1][2]. Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from?Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of ?inflammatory?diseases[1][2].
C25H32O7_Furo[3,4-i]pyrano[3,2-a]xanthene-3,11-dione, 1,2,4a,5,6,6a,9,13,13a,13b-decahydro-4a-(1-hydroxy-1-methylethyl)-12-methoxy-6a,8,13b-trimethyl-, (6aS,13aR,13bR)
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,²⁰]docosa-3(11),4,9-triene-8,17-dione
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,²⁰]docosa-3(11),4,9-triene-8,17-dione_major
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,²⁰]docosa-3(11),4,9-triene-8,17-dione_31.2\\%
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0³,¹¹.0?,?.0¹?,²?]docosa-3(11),4,9-triene-8,17-dione
Ala Ala Phe His
Ala Ala His Phe
Ala Phe Ala His
Ala Phe His Ala
Ala His Ala Phe
Ala His Phe Ala
Phe Ala Ala His
Phe Ala His Ala
Phe His Ala Ala
His Ala Ala Phe
His Ala Phe Ala
His Phe Ala Ala
Met Pro Pro Thr
Met Pro Thr Pro
Met Thr Pro Pro
Pro Met Pro Thr
Pro Met Thr Pro
Pro Pro Met Thr
Pro Pro Thr Met
Pro Thr Met Pro
Pro Thr Pro Met
Thr Met Pro Pro
Thr Pro Met Pro
Thr Pro Pro Met
17,18-dehydro-clavulone I
Austalide J
N-(ethoxymethyl)-N-methyl-2-(3-methylbutyl)-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
α-(2,3-Dimethylphenyl)-1-(trityl)-1H-imidazole-4-methanol
sodium 1,4-bis(1-methylheptyl) 2-sulphonatosuccinate
1,3-diisocyanato-2-methylbenzene,2-methyloxirane,oxirane,propane-1,2-diol,propane-1,2,3-triol
Docusate sodium
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AA - Softeners, emollients C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative > C29699 - Stool Softener D013501 - Surface-Active Agents Anionic surfactant used as wetting/dispersing/emulsifying agent in food processing. Hog/poultry scald agent. It is used in cheeses, salad dressings, cocoa and dairy products. Docusate sodium is found in cocoa and cocoa products, milk and milk products, and herbs and spices.
bis[(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]methanone
Del-22379
DEL-22379 is an ERK dimerization Inhibitor. DEL-22379 readily binds to ERK2 with a Kd estimated in the low micromolar range, though binding is detectable even at low nanomolar concentrations. ERK2 dimerization is progressively inhibited with an IC50 of ~0.5 μM.
VIBEGRON
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Fazadinium
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
5-Hydroxy-2-methyl-4-[1-piperidinyl(3-pyridinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester
[1-(4-Fluorobenzyl)cyclobutyl]methyl (1S)-1-[oxo(1H-pyrazol-5-ylamino)acetyl]pentylcarbamate
1-{3-Oxo-3-[(2s)-2-(Pyrrolidin-1-Ylcarbonyl)pyrrolidin-1-Yl]propyl}-3-Phenylquinoxalin-2(1h)-One
4-(1r,3as,4r,8as,8br)-[1-Difluoromethyl-2-(4-Fluorobenzyl)-3-Oxodecahydropyrrolo[3,4-A]pyrrolizin-4-Yl]benzamidine
mitoxantrone
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances > L01DB - Anthracyclines and related substances C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors Same as: D08224
21-Hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione
Tifentai
Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from?Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of ?inflammatory?diseases[1][2]. Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from?Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of ?inflammatory?diseases[1][2].
[3-hydroxy-2-[11-oxo-11-(2,4,6-trihydroxyphenyl)undecyl]phenyl] Acetate
1-[2-[4-[(E)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]pyrrolidine
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists
N-benzyl-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
7-Butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione
4-methoxy-N-[4-[1-[(4-methoxyanilino)-oxomethyl]cyclopentyl]phenyl]benzamide
Dimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium 3-hydroxy-2-naphthalenecarboxylic acid
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1R)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1R)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1S)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-N-(2-phenylethyl)-12-(pyridin-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-12-methyl-6-oxo-N-(2-phenylethyl)-5-pyridin-3-yl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1S)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-N-(2-phenylethyl)-12-(pyridin-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-12-methyl-6-oxo-N-(2-phenylethyl)-5-pyridin-3-yl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
[(1R)-7-methoxy-9-methyl-1-[(5-phenyl-3-isoxazolyl)methyl]-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
Dimethyl-(3-phenoxypropyl)-phenylammonium 3-hydroxy-2-naphthalenecarboxylic acid
(E,8R)-8-[(2R,3R,5R,6S)-3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxynon-2-enoate
(1'r,2's,3s,6's,7'r,9'r,11'r,12's)-11'-hydroxy-2,2,2',9',12'-pentamethyl-15'-methylidenedispiro[oxane-3,5'-[13]oxatetracyclo[7.5.1.0¹,¹¹.0²,⁷]pentadecane-6',2''-oxirane]-6,10',14'-trione
3-{[2,4-dihydroxy-6-methoxy-5-(3-methylbut-2-en-1-yl)-3-(2-methylpropanoyl)phenyl]methyl}-6-ethyl-4-hydroxy-5-methylpyran-2-one
3-hydroxy-2-[11-oxo-11-(2,4,6-trihydroxyphenyl)undecyl]phenyl acetate
(4s,4as,5r,6s,8ar)-3,4a-dimethyl-6-[(3-methylbut-2-enoyl)oxy]-4-{[(2e)-2-methylbut-2-enoyl]oxy}-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-5-carboxylic acid
3-[7-hydroxy-11-methoxy-4,5a,9-trimethyl-1-oxo-8-(prop-1-en-2-yl)-3h,6h,7h,8h,9ah,10h-furo[3,4-b]xanthen-9-yl]propanoic acid
(2r,2as,4as,7r,7as,7br)-3-formyl-2a,7-dimethoxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
(3s,3ar,4s,9ar,9bs)-3,6,9-trimethyl-4-[(2-methylbutanoyl)oxy]-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl (2z)-2-methylbut-2-enoate
(1s,7s,8z,12r,13s,14r)-14-(acetyloxy)-4,9,13,17-tetramethyl-5,15-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl propanoate
(2s)-n-[(2s)-1-(acetyloxy)-3-phenylpropan-2-yl]-2-{[hydroxy(phenyl)methylidene]amino}-3-phenylpropanimidic acid
8-hydroxy-5,8a-dimethyl-6-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate
(4s,4as,5r,6s,8ar)-3,4a-dimethyl-4,6-bis({[(2z)-2-methylbut-2-enoyl]oxy})-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-5-carboxylic acid
3-formyl-2a,7-dimethoxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
[(2r,3r,7r,9as,9bs,10ar)-2-(acetyloxy)-7-ethenyl-4,9a-dihydroxy-3,7-dimethyl-5-oxo-1h,2h,8h,9h,10h,10ah-cyclopropa[f]phenanthren-3-yl]methyl propanoate
anomalamide
{"Ingredient_id": "HBIN016253","Ingredient_name": "anomalamide","Alias": "NA","Ingredient_formula": "C27H28N2O4","Ingredient_Smile": "CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14318","TCMID_id": "1345","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}