Exact Mass: 459.1253

Exact Mass Matches: 459.1253

Found 153 metabolites which its exact mass value is equals to given mass value 459.1253, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Doronine

Doronine; 4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-

C21H30ClNO8 (459.166)


   

Narceinone

6-(2-{6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}-2-oxoacetyl)-2,3-dimethoxybenzoic acid

C23H25NO9 (459.1529)


Narceinone is found in opium poppy. Narceinone is an alkaloid from unlanced dried capsules of Papaver somniferum (opium poppy). Alkaloid from unlanced dried capsules of Papaver somniferum (opium poppy). Narceinone is found in opium poppy.

   

1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate

6,7-dihydroxy-3-(2-hydroxyphenyl)-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one

C19H25NO12 (459.1377)


Trace metabolite of corn. 1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate is found in cereals and cereal products. 1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate is found in cereals and cereal products. Trace metabolite of corn.

   

4-Methylumbelliferyl-6-sulfo-2-acetamido-2-deoxy-beta-glucopyranoside

N-{4,5-dihydroxy-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-6-[(sulphooxy)methyl]oxan-3-yl}ethanimidic acid

C18H21NO11S (459.0835)


   

Analogue A

5-Chloro-N-[3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboximidate

C23H23Cl2N3O3 (459.1116)


   

Fenoverine

2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(10H-phenothiazin-10-yl)ethan-1-one

C26H25N3O3S (459.1617)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

   

Lilly 117018

6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-pyrrolidinyl)ethoxy] phenyl ketone

C27H25NO4S (459.1504)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists

   

Mivebresib

N-[4-(2,4-difluorophenoxy)-3-{6-methyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-4-yl}phenyl]ethane-1-sulfonamide

C22H19F2N3O4S (459.1064)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor

   

Pavinetant

3-Methanesulphonamido-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboximidic acid

C26H25N3O3S (459.1617)


   

4-hydroxy-2-nonenal-glutathione conjugate

[1-carboxylato-3-({1-[(carboxylatomethyl)carbamoyl]-2-[(4-hydroxy-1-oxononan-3-yl)sulfanyl]ethyl}carbamoyl)propyl]azaniumyl

C19H29N3O8S (459.1675)


4-hydroxy-2-nonenal-glutathione conjugate is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 4-hydroxy-2-nonenal-glutathione conjugate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 4-hydroxy-2-nonenal-glutathione conjugate can be found in a number of food items such as vanilla, kale, beech nut, and summer grape, which makes 4-hydroxy-2-nonenal-glutathione conjugate a potential biomarker for the consumption of these food products.

   
   
   
   
   

6-hydroxy-galanthindole 6-O-beta-D-glucopyranoside|6-hydroxy-galanthindolyloside A

6-hydroxy-galanthindole 6-O-beta-D-glucopyranoside|6-hydroxy-galanthindolyloside A

C23H25NO9 (459.1529)


   
   
   

Lamellarin A4

Lamellarin A4

C25H17NO8 (459.0954)


   
   

2-Deoxydadenosine,9CI,8CI-3,5-dibenzoyl

2-Deoxydadenosine,9CI,8CI-3,5-dibenzoyl

C24H21N5O5 (459.1543)


   
   
   
   

Cys His Asn Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-hydroxypropanoic acid

C16H25N7O7S (459.1536)


   

Cys His Ser Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-carbamoylpropanoic acid

C16H25N7O7S (459.1536)


   

Cys Asn His Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid

C16H25N7O7S (459.1536)


   

Cys Asn Ser His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H25N7O7S (459.1536)


   

Cys Ser His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C16H25N7O7S (459.1536)


   

Cys Ser Asn His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H25N7O7S (459.1536)


   

Asp Asp Asn Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C17H25N5O10 (459.1601)


   

Asp Asp Pro Asn

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-4-[(2S)-2-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H25N5O10 (459.1601)


   

Asp Asn Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H25N5O10 (459.1601)


   

Asp Asn Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H25N5O10 (459.1601)


   

Asp Pro Asp Asn

(3S)-3-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}propanoic acid

C17H25N5O10 (459.1601)


   

Asp Pro Asn Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]butanedioic acid

C17H25N5O10 (459.1601)


   

Moricizine sulfone

Moricizine sulfone

C22H25N3O6S (459.1464)


   

His Cys Asn Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-hydroxypropanoic acid

C16H25N7O7S (459.1536)


   

His Cys Ser Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-carbamoylpropanoic acid

C16H25N7O7S (459.1536)


   

His Asn Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C16H25N7O7S (459.1536)


   

His Asn Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C16H25N7O7S (459.1536)


   

His Ser Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C16H25N7O7S (459.1536)


   

His Ser Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C16H25N7O7S (459.1536)


   
   

Asn Cys His Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid

C16H25N7O7S (459.1536)


   

Asn Cys Ser His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H25N7O7S (459.1536)


   

Asn Asp Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H25N5O10 (459.1601)


   

Asn Asp Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H25N5O10 (459.1601)


   

Asn His Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C16H25N7O7S (459.1536)


   

Asn His Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C16H25N7O7S (459.1536)


   

Asn Pro Asp Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]butanedioic acid

C17H25N5O10 (459.1601)


   

Asn Ser Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H25N7O7S (459.1536)


   

Asn Ser His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C16H25N7O7S (459.1536)


   

Pro Asp Asp Asn

(3S)-3-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C17H25N5O10 (459.1601)


   

Pro Asp Asn Asp

(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]butanedioic acid

C17H25N5O10 (459.1601)


   

Pro Asn Asp Asp

(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-carboxypropanamido]butanedioic acid

C17H25N5O10 (459.1601)


   

Ser Cys His Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C16H25N7O7S (459.1536)


   

Ser Cys Asn His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H25N7O7S (459.1536)


   

Ser His Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C16H25N7O7S (459.1536)


   

Ser His Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C16H25N7O7S (459.1536)


   

Ser Asn Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C16H25N7O7S (459.1536)


   

Ser Asn His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C16H25N7O7S (459.1536)


   

Phe-Trp-OH

(S)-2-(3-(benzyloxy)-4-nitrobenzamido)-3-(1H-indol-3-yl)propanoic acid

C25H21N3O6 (459.143)


   

1-(2-Hydroxyphenylamino)-1-deoxy-b-D-gentiobioside 1,2-carbamate

6,7-dihydroxy-3-(2-hydroxyphenyl)-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one

C19H25NO12 (459.1377)


   

Narceinone

6-(2-{6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}-2-oxoacetyl)-2,3-dimethoxybenzoic acid

C23H25NO9 (459.1529)


   

5-Methyl-7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine

5-Methyl-7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine

C22H20F3N5O3 (459.1518)


   

2-Propanol,1-[(6-chloro-2-methoxy-9-acridinyl)amino]-3-(diethylamino)-, hydrochloride(1:2)

2-Propanol,1-[(6-chloro-2-methoxy-9-acridinyl)amino]-3-(diethylamino)-, hydrochloride(1:2)

C21H28Cl3N3O2 (459.1247)


   
   

Fmoc-D-Glu(OBzl)-OH

Fmoc-D-Glu(OBzl)-OH

C27H25NO6 (459.1682)


   
   
   

N6,3-O-DIBENZOYL-2-DEOXYADENOSINE

N6,3-O-DIBENZOYL-2-DEOXYADENOSINE

C24H21N5O5 (459.1543)


   

Fmoc-Glu(OBzl)-OH

Fmoc-Glu(OBzl)-OH

C27H25NO6 (459.1682)


   

FR 122047 hydrochloride

FR 122047 hydrochloride

C23H26ClN3O3S (459.1383)


   

terbium acetylacetonate

terbium acetylacetonate

C15H24O6Tb (459.0826)


   

(2E,5E)-3-benzyl-2-(4-methoxy phenylimino)-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)thiazolidin-4-one

(2E,5E)-3-benzyl-2-(4-methoxy phenylimino)-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)thiazolidin-4-one

C25H21N3O2S2 (459.1075)


   

METHYL 3-(3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-HYDROXY-1H-INDOL-2-YL)-2,2-DIMETHYLPROPANOATE

METHYL 3-(3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-HYDROXY-1H-INDOL-2-YL)-2,2-DIMETHYLPROPANOATE

C25H30ClNO3S (459.1635)


   

[4-(2,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamoyl]phenyl] benzoate

[4-(2,4-difluorophenyl)-2-[(4-methoxyphenyl)carbamoyl]phenyl] benzoate

C27H19F2NO4 (459.1282)


   

(+/-)-n,n-dimethyl-1-(2-diphenylphosphino)ferrocenylethylamine monohydrate

(+/-)-n,n-dimethyl-1-(2-diphenylphosphino)ferrocenylethylamine monohydrate

C26H30FeNOP (459.1414)


   

ETHYL 3-(3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-METHOXY-1H-INDOL-2-YL)-2,2-DIMETHYLPROPANOATE

ETHYL 3-(3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-METHOXY-1H-INDOL-2-YL)-2,2-DIMETHYLPROPANOATE

C25H30ClNO3S (459.1635)


   

Flurazepam hydrochloride

Flurazepam dihydrochloride

C21H25Cl3FN3O (459.1047)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

   

AZD-3759

(R)-4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate

C22H23ClFN5O3 (459.1473)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

Aluminum triquinolin-8-olate

Aluminum triquinolin-8-olate

C27H18AlN3O3 (459.1164)


   

Fmoc-Glu-Obzl

Fmoc-Glu-Obzl

C27H25NO6 (459.1682)


   
   

2,4,6-Tri-naphthalen-2-yl-[1,3,5]triazine

2,4,6-Tri-naphthalen-2-yl-[1,3,5]triazine

C33H21N3 (459.1735)


   
   

Pavinetant

Pavinetant

C26H25N3O3S (459.1617)


C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C142789 - Neurokinin-3 Receptor Antagonist Pavinetant (MLE-4901) is a neurokinin-3 receptor (NK3R) antagonist.

   

Nitrocycline

Nitrocycline

C21H21N3O9 (459.1278)


C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic

   
   

4-methyl-N-[2-[(5-oxo-2,3-dihydrothiazolo[2,3-b]quinazolin-3-yl)methylthio]phenyl]benzamide

4-methyl-N-[2-[(5-oxo-2,3-dihydrothiazolo[2,3-b]quinazolin-3-yl)methylthio]phenyl]benzamide

C25H21N3O2S2 (459.1075)


   

L-Aspartic acid, L-tyrosyl-L-tyrosyl-

L-Aspartic acid, L-tyrosyl-L-tyrosyl-

C22H25N3O8 (459.1642)


   

(C8-R)-Hydantocidin 5-phosphate

(C8-R)-Hydantocidin 5-phosphate

C13H22N3O13P (459.089)


   

(C8-S)-Hydantocidin 5-phosphate

(C8-S)-Hydantocidin 5-phosphate

C13H22N3O13P (459.089)


   

Fenoverine

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone

C26H25N3O3S (459.1617)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

   

Mivebresib

Mivebresib

C22H19F2N3O4S (459.1064)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor

   

wogonin 7-O-beta-D-glucuronate

wogonin 7-O-beta-D-glucuronate

C22H19O11- (459.0927)


The monocarboxylic acid anion that is the conjugate base of wogonin 7-O-beta-D-glucuronide.

   

oroxylin A 7-O-beta-D-glucuronate

oroxylin A 7-O-beta-D-glucuronate

C22H19O11- (459.0927)


The monocarboxylic acid anion that is the conjugate base of oroxylin A 7-O-beta-D-glucuronide.

   

5-O-[N-(L-Aspartyl)sulfamoyl]adenosine

5-O-[N-(L-Aspartyl)sulfamoyl]adenosine

C14H17N7O9S-2 (459.0808)


   

Aspartyl-phosphonate-adenosine

Aspartyl-phosphonate-adenosine

C15H20N6O9P- (459.1029)


   

2-Acetyl-2-decarboxyamido-oxytetracycline

2-Acetyl-2-decarboxyamido-oxytetracycline

C23H25NO9 (459.1529)


   

5-chloro-N-[3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C23H23Cl2N3O3 (459.1116)


   

(6R,7R)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C20H19N4O5S2+ (459.0797)


   

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone

C24H21F4N3O2 (459.157)


   

(Z)-4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilino)-3-nitrophenyl]-4-pentenoic acid

(Z)-4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilino)-3-nitrophenyl]-4-pentenoic acid

C25H21N3O4S (459.1253)


   

N-{2-[4-(4-chlorobenzoyl)-1-piperazinyl]phenyl}-1-benzofuran-2-carboxamide

N-{2-[4-(4-chlorobenzoyl)-1-piperazinyl]phenyl}-1-benzofuran-2-carboxamide

C26H22ClN3O3 (459.135)


   

N-(3-methoxyphenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]-2-phenylacetamide

N-(3-methoxyphenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]-2-phenylacetamide

C26H25N3O3S (459.1617)


   

3-(4-Butyl-3-oxo-2-quinoxalinyl)propanoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester

3-(4-Butyl-3-oxo-2-quinoxalinyl)propanoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester

C23H23ClFN3O4 (459.1361)


   

4-[(2-Methoxyphenyl)-methylsulfamoyl]benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester

4-[(2-Methoxyphenyl)-methylsulfamoyl]benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester

C21H21N3O7S (459.11)


   

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-bromophenyl)methylidene]-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-bromophenyl)methylidene]-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

C17H18BrN9O2 (459.0767)


   

(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one

(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one

C23H26FN3O4S (459.1628)


   

prunetin-5-O-beta-D-glucuronide

prunetin-5-O-beta-D-glucuronide

C22H19O11- (459.0927)


   

prunetin-4-O-beta-D-glucuronide

prunetin-4-O-beta-D-glucuronide

C22H19O11- (459.0927)


   

2-(4-Methylpiperazin-1-yl)quinoline maleate

2-(4-Methylpiperazin-1-yl)quinoline maleate

C22H25N3O8 (459.1642)


   

(6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

(6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

C21H22BrN3O4 (459.0794)


   

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(1,3-thiazol-2-ylmethyl)amino]butyl]benzenesulfonamide

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(1,3-thiazol-2-ylmethyl)amino]butyl]benzenesulfonamide

C20H30FN3O4S2 (459.1662)


   

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(1,3-thiazol-2-ylmethyl)amino]butyl]benzenesulfonamide

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(1,3-thiazol-2-ylmethyl)amino]butyl]benzenesulfonamide

C20H30FN3O4S2 (459.1662)


   

4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide

4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide

C20H30FN3O4S2 (459.1662)


   

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide

C20H30FN3O4S2 (459.1662)


   

(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

C21H22BrN3O4 (459.0794)


   

(6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

(6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

C21H22BrN3O4 (459.0794)


   

(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

C21H22BrN3O4 (459.0794)


   

(6R,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

(6R,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

C21H22BrN3O4 (459.0794)


   

4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide

4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide

C20H30FN3O4S2 (459.1662)


   

4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide

4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide

C20H30FN3O4S2 (459.1662)


   

(6S,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

(6S,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

C21H22BrN3O4 (459.0794)


   

(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

C21H22BrN3O4 (459.0794)


   

(6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

(6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

C21H22BrN3O4 (459.0794)


   
   
   

(5-fluoro-2,4-dioxo-1H-pyrimidin-6-yl) 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate

(5-fluoro-2,4-dioxo-1H-pyrimidin-6-yl) 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate

C21H19F2N5O5 (459.1354)


   

(S)-2-(4-Chlorophenyl)-2-Pyridin-3-Yl-1-[4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl]ethanone

(S)-2-(4-Chlorophenyl)-2-Pyridin-3-Yl-1-[4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl]ethanone

C24H21ClF3N3O (459.1325)


   

Lilly 117018

Lilly 117018

C27H25NO4S (459.1504)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists

   

1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate

1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate

C19H25NO12 (459.1377)


   
   
   

KG5

KG5

C20H16F3N7OS (459.1089)


KG5 is an orally active dual PDGFRβ and B-Raf allosteric inhibitor. KG5 also inhibits Flt3, KIT and c-Raf. KG5 has anticancer, antiangiogenic activities[1].

   

(4r,5s,6r)-4,5-dihydroxy-6-[(s)-[(3s,4r,5r)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-5,6-dihydro-4h-pyran-2-carboxylic acid

(4r,5s,6r)-4,5-dihydroxy-6-[(s)-[(3s,4r,5r)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-5,6-dihydro-4h-pyran-2-carboxylic acid

C17H21N3O12 (459.1125)


   

12-(3,4-dihydroxyphenyl)-7,8,16,17-tetrahydroxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-5,7,9,12,14,16,18,20-octaen-3-one

12-(3,4-dihydroxyphenyl)-7,8,16,17-tetrahydroxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-5,7,9,12,14,16,18,20-octaen-3-one

C25H17NO8 (459.0954)


   

(4s,5s,6s)-4,5-dihydroxy-6-[(r)-[(2s,3s,4r,5r)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-5,6-dihydro-4h-pyran-2-carboxylic acid

(4s,5s,6s)-4,5-dihydroxy-6-[(r)-[(2s,3s,4r,5r)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-5,6-dihydro-4h-pyran-2-carboxylic acid

C17H21N3O12 (459.1125)


   

1-(2-hydroxyphenylamino)-1-deoxy-β-gentio-bioside 1,2-carbamate

NA

C19H25NO12 (459.1377)


{"Ingredient_id": "HBIN000886","Ingredient_name": "1-(2-hydroxyphenylamino)-1-deoxy-\u03b2-gentio-bioside 1,2-carbamate","Alias": "NA","Ingredient_formula": "C19H25NO12","Ingredient_Smile": "C1=CC=C(C(=C1)N2C3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)OC2=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10608","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-(1-chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

4-(1-chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

C21H30ClNO8 (459.166)


   

(3r,4ar,12bs)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-3-[(1r,2r)-1-methylaziridin-2-yl]-2,4,4a,5-tetrahydrotetraphene-1,6-dione

(3r,4ar,12bs)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-3-[(1r,2r)-1-methylaziridin-2-yl]-2,4,4a,5-tetrahydrotetraphene-1,6-dione

C23H25NO9 (459.1529)


   

4,11,24,25-tetrahydroxy-25-(1-hydroxyethyl)-16-azahexacyclo[15.7.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²³]pentacosa-2(15),3,5(14),7,9,11,18,20,22-nonaene-6,13-dione

4,11,24,25-tetrahydroxy-25-(1-hydroxyethyl)-16-azahexacyclo[15.7.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²³]pentacosa-2(15),3,5(14),7,9,11,18,20,22-nonaene-6,13-dione

C26H21NO7 (459.1318)


   

(1r,4s,6r,7r,11z)-4-[(1r)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

(1r,4s,6r,7r,11z)-4-[(1r)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

C21H30ClNO8 (459.166)


   

(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-(1h-pyrrole-2-carbonyloxy)-6-[(1h-pyrrole-2-carbonyloxy)methyl]oxan-2-yl 1h-pyrrole-2-carboxylate

(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-(1h-pyrrole-2-carbonyloxy)-6-[(1h-pyrrole-2-carbonyloxy)methyl]oxan-2-yl 1h-pyrrole-2-carboxylate

C21H21N3O9 (459.1278)


   

(1r,17s,24s,25r)-4,11,24,25-tetrahydroxy-25-[(1r)-1-hydroxyethyl]-16-azahexacyclo[15.7.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²³]pentacosa-2(15),3,5(14),7,9,11,18,20,22-nonaene-6,13-dione

(1r,17s,24s,25r)-4,11,24,25-tetrahydroxy-25-[(1r)-1-hydroxyethyl]-16-azahexacyclo[15.7.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²³]pentacosa-2(15),3,5(14),7,9,11,18,20,22-nonaene-6,13-dione

C26H21NO7 (459.1318)


   

(2r,3s,5s,6s)-6-{[(3s,3ar)-7-chloro-5-(cyanomethyl)-3-hydroxy-3h-cyclopenta[a]inden-3a-yl]oxy}-5-hydroxy-2,3-dimethyl-4-oxooxan-3-yl acetate

(2r,3s,5s,6s)-6-{[(3s,3ar)-7-chloro-5-(cyanomethyl)-3-hydroxy-3h-cyclopenta[a]inden-3a-yl]oxy}-5-hydroxy-2,3-dimethyl-4-oxooxan-3-yl acetate

C23H22ClNO7 (459.1085)


   

(1r,4s,6r,7r,11z)-4-[(1s)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

(1r,4s,6r,7r,11z)-4-[(1s)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

C21H30ClNO8 (459.166)


   

(2s)-n-{[(2r,3s,4r,5r)-5-(6-amino-8-hydroxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}pyrrolidine-2-carboximidic acid

(2s)-n-{[(2r,3s,4r,5r)-5-(6-amino-8-hydroxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}pyrrolidine-2-carboximidic acid

C15H22N7O8P (459.1267)


   

(1r,4r,6r,7r)-4-[(1r)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

(1r,4r,6r,7r)-4-[(1r)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

C21H30ClNO8 (459.166)


   

3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-3-(1-methylaziridin-2-yl)-2,4,4a,5-tetrahydrotetraphene-1,6-dione

3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-3-(1-methylaziridin-2-yl)-2,4,4a,5-tetrahydrotetraphene-1,6-dione

C23H25NO9 (459.1529)


   

3-acetyl-1-(dimethylamino)-4,4a,6,7,11,12-hexahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione

3-acetyl-1-(dimethylamino)-4,4a,6,7,11,12-hexahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione

C23H25NO9 (459.1529)


   

(3r,4ar,12bs)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-3-[(2r)-1-methylaziridin-2-yl]-2,4,4a,5-tetrahydrotetraphene-1,6-dione

(3r,4ar,12bs)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-3-[(2r)-1-methylaziridin-2-yl]-2,4,4a,5-tetrahydrotetraphene-1,6-dione

C23H25NO9 (459.1529)