Exact Mass: 444.0578

Exact Mass Matches: 444.0578

Found 134 metabolites which its exact mass value is equals to given mass value 444.0578, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Xanthosine 5-pyrophosphate

XDP; Xanthosine 5-pyrophosphate; Xanthosine 5-diphosphate

C10H14N4O12P2 (444.0083)


   

Granaticin

(1R,7S,11S,13S,19S,20R,23R)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),4,6(14),15-tetraene-3,9,17-trione

C22H20O10 (444.1056)


   

Chloramphenicol sodium succinate

Chloramphenicol sodium succinate

C15H15Cl2N2O8. Na (444.0103)


Same as: D02185 Chloramphenicol succinate sodium is a proagent of Chloramphenicol, with Haemotoxicity. Chloramphenicol succinate is a competitive substrate and inhibitor of succinate dehydrogenase (SDH) that is the possible reason for its toxicity[1][2][3].

   

Rothindin

3-(2H-1,3-benzodioxol-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C22H20O10 (444.1056)


Rothindin is found in herbs and spices. Rothindin is isolated from Trifolium pratense (red clover). Isolated from Trifolium pratense (red clover). Rothindin is found in tea and herbs and spices.

   

Formononetin 7-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

C22H20O10 (444.1056)


Formononetin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

C22H20O10 (444.1056)


   

Betavulgarin xyloside

9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

C22H20O10 (444.1056)


Betavulgarin xyloside is found in root vegetables. Betavulgarin xyloside is a constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Betavulgarin xyloside is found in root vegetables.

   

Formononetin 7-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

C22H20O10 (444.1056)


   

2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate

N-(2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl)-2-[4-(4-chlorophenoxy)phenoxy]ethanimidate

C18H22ClN2O7P (444.0853)


   

Vercirnon

4-Tert-butyl-N-[4-chloro-2-(1-oxo-1-pyridine-4-carbonyl)phenyl]benzene-1-sulphonamide

C22H21ClN2O4S (444.091)


   

Vulgamycin

2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-2-oxo-2H-pyran-6-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one

C22H20O10 (444.1056)


   

3'-O-Methylderhamnosylmaysin

6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

C22H20O10 (444.1056)


3-o-methylderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-o-methylderhamnosylmaysin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-o-methylderhamnosylmaysin can be found in corn, which makes 3-o-methylderhamnosylmaysin a potential biomarker for the consumption of this food product.

   

Xanthoviridicatin G

Xanthoviridicatin G

C25H16O8 (444.0845)


   
   
   

Enterocin

3,6-Methanocyclopenta(c)pyran-1(3H)-one, 7-benzoylhexahydro-4a,6,7a,8-tetrahydroxy-5-(4-methoxy-2-oxo-2H-pyran-6-yl)-, (3R,4aR,5S,6S,7S,7aS,8R)-

C22H20O10 (444.1056)


   

Licoagroside C

3-Hydroxy-9-methoxycoumestan 3-O-glucoside

C22H20O10 (444.1056)


   

3-O-Methylderhamnosylmaysin

5,7,4-Trihydroxy-3-methoxyflavone 6-C- (6-deoxy-xylo-hexose-4-urosyl)

C22H20O10 (444.1056)


   

Rothindin

3-(2H-1,3-benzodioxol-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C22H20O10 (444.1056)


   
   
   
   

SCHEMBL12847873

SCHEMBL12847873

C22H20O10 (444.1056)


   
   

18,18-dibromo-17-octadecene-5,7-diynoic acid methyl ester

18,18-dibromo-17-octadecene-5,7-diynoic acid methyl ester

C19H26Br2O2 (444.0299)


   
   

rhamnocitrin 3-glucuronide

rhamnocitrin 3-glucuronide

C22H20O10 (444.1056)


   

2-Hydroxy-3,5-dichloro-4-methyl-6-[2-methyl-3-(methoxycarbonyl)-4-methoxy-6-hydroxyphenoxy]benzoic acid methyl ester

2-Hydroxy-3,5-dichloro-4-methyl-6-[2-methyl-3-(methoxycarbonyl)-4-methoxy-6-hydroxyphenoxy]benzoic acid methyl ester

C19H18Cl2O8 (444.0379)


   

Branaticin|Granaticin

Branaticin|Granaticin

C22H20O10 (444.1056)


   

3,8-didesmethyltetracenomycin C 5

3,8-didesmethyltetracenomycin C 5

C21H16O11 (444.0693)


   

JBIR-85

JBIR-85

C22H20O10 (444.1056)


A natural product found in Streptomyces species.

   

3,5-Dichlor-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoesaeure-dimethylester|3,5-dichloro-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoic acid dimethyl ester|methyl 2,4-dichloroasterrate

3,5-Dichlor-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoesaeure-dimethylester|3,5-dichloro-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoic acid dimethyl ester|methyl 2,4-dichloroasterrate

C19H18Cl2O8 (444.0379)


   

aflatoxin B2b

aflatoxin B2b

C22H20O10 (444.1056)


   

5-methylene-bis-[5-(3-butene-1-ynyl)-2,2-bithiophene]

5-methylene-bis-[5-(3-butene-1-ynyl)-2,2-bithiophene]

C25H16S4 (444.0135)


   

(1R)-2c-Aethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-1r-carbonsaeure-methylester|(1R)-2c-ethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacene-1r-carboxylic acid methyl ester|epsilon-Iso-rhodomycinon|epsilon-iso-rhodomycinone|epsilon-Isorhodomycinon|epsilon-Isorhodomycinone

(1R)-2c-Aethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-1r-carbonsaeure-methylester|(1R)-2c-ethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacene-1r-carboxylic acid methyl ester|epsilon-Iso-rhodomycinon|epsilon-iso-rhodomycinone|epsilon-Isorhodomycinon|epsilon-Isorhodomycinone

C22H20O10 (444.1056)


   

Cetrariastrumin

Cetrariastrumin

C22H20O10 (444.1056)


   

Phe4Cl-His-OH

(S)-2-(3-((4-chlorobenzyl)oxy)-4-nitrobenzamido)-4-(1H-imidazol-4-yl)butanoic acid

C20H17ClN4O6 (444.0837)


   

Betavulgarin xyloside

9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

C22H20O10 (444.1056)


   

Formononetin 7-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

C22H20O10 (444.1056)


   

Methyl 18,18-dibromo-17-octadecen-5,7-diynoate

Methyl 18,18-dibromo-17-octadecen-5,7-diynoate

C19H26Br2O2 (444.0299)


   

Methyl 18,18-dibromo-17-octadecen-5,7-diynoate

Methyl 18,18-dibromo-17-octadecen-5,7-diynoate

C19H26O2Br2 (444.0299)


   

TETRAKIS(ACETONITRILE)PALLADIUM(II) TETRAFLUOROBORATE

TETRAKIS(ACETONITRILE)PALLADIUM(II) TETRAFLUOROBORATE

C8H12B2F8N4Pd (444.0155)


   
   

sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate

sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate

C22H17N2NaO5S (444.0756)


   

4-iodo-n-(4-pyrrolidin-1-yl-butyl)benzenesulfonamide hydrochloride

4-iodo-n-(4-pyrrolidin-1-yl-butyl)benzenesulfonamide hydrochloride

C14H22ClIN2O2S (444.0135)


   

DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE

DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE

C17H21BrN2O7 (444.0532)


   

3-[(3-aminophenyl)-[3,5-bis(trifluoromethyl)phenyl]phosphoryl]aniline

3-[(3-aminophenyl)-[3,5-bis(trifluoromethyl)phenyl]phosphoryl]aniline

C20H15F6N2OP (444.0826)


   

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)cyclohexan-1-one

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)cyclohexan-1-one

C13H9F13O2 (444.0395)


   

mercuric benzoate

mercuric benzoate

C14H10HgO4 (444.0285)


   

2,4,6-tris(4-nitrophenyl)-1,3,5-triazine

2,4,6-tris(4-nitrophenyl)-1,3,5-triazine

C21H12N6O6 (444.0818)


   
   

9H-Fluorene, 2-iodo-9, 9-diphenyl-

9H-Fluorene, 2-iodo-9, 9-diphenyl-

C25H17I (444.0375)


   

4-Nitrophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside 6-(hydrogen sulfate) monosodium salt

4-Nitrophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside 6-(hydrogen sulfate) monosodium salt

C14H17N2NaO11S (444.0451)


   

Vercirnon

Vercirnon

C22H21ClN2O4S (444.091)


C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist

   

2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate

2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate

C18H22ClN2O7P (444.0853)


   

Tetrakis(acetyloxy)plumbane

Tetrakis(acetyloxy)plumbane

C8H12O8Pb (444.0299)


   

Hexacyclopentacoronene

Hexacyclopentacoronene

C36H12 (444.0939)


   

1-{3-[(4-Pyridin-2-Ylpiperazin-1-Yl)sulfonyl]phenyl}-3-(1,3-Thiazol-2-Yl)urea

1-{3-[(4-Pyridin-2-Ylpiperazin-1-Yl)sulfonyl]phenyl}-3-(1,3-Thiazol-2-Yl)urea

C19H20N6O3S2 (444.1038)


   

(11r)-10-Acetyl-11-(2,4-Dichlorophenyl)-6-Hydroxy-3,3-Dimethyl-2,3,4,5,10,11-Hexahydro-1h-Dibenzo[b,E][1,4]diazepin-1-One

(11r)-10-Acetyl-11-(2,4-Dichlorophenyl)-6-Hydroxy-3,3-Dimethyl-2,3,4,5,10,11-Hexahydro-1h-Dibenzo[b,E][1,4]diazepin-1-One

C23H22Cl2N2O3 (444.1007)


   

3-O-Acetylthymidine-5-diphosphate

3-O-Acetylthymidine-5-diphosphate

C12H18N2O12P2 (444.0335)


   

Chloramphenicol sodium succinate

Chloramphenicol sodium succinate

C15H15Cl2N2NaO8 (444.0103)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic C784 - Protein Synthesis Inhibitor Chloramphenicol succinate sodium is a proagent of Chloramphenicol, with Haemotoxicity. Chloramphenicol succinate is a competitive substrate and inhibitor of succinate dehydrogenase (SDH) that is the possible reason for its toxicity[1][2][3].

   

Litmomycin

Litmomycin

C22H20O10 (444.1056)


D000970 - Antineoplastic Agents

   

titanium (III) citrate

titanium (III) citrate

C12H28O14Ti (444.0958)


   

5-Mercuriocytidine

5-Mercuriocytidine

C9H12HgN3O5 (444.0483)


   

(1S,2E,3S,6R,8R,9S)-1,3,8,10-tetrahydroxy-2-[hydroxy(phenyl)methylidene]-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one

(1S,2E,3S,6R,8R,9S)-1,3,8,10-tetrahydroxy-2-[hydroxy(phenyl)methylidene]-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one

C22H20O10 (444.1056)


   

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-aminopropyl)phosphinic acid

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-aminopropyl)phosphinic acid

C12H22N4O10P2 (444.0811)


   

6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

C22H20O10 (444.1056)


   

Circumtrindene

Circumtrindene

C36H12 (444.0939)


   

(1S,12S,15R,17R,19S)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.01,10.03,8.015,19]nonadeca-3(8),4,6,9-tetraene-2,11,13-trione

(1S,12S,15R,17R,19S)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.01,10.03,8.015,19]nonadeca-3(8),4,6,9-tetraene-2,11,13-trione

C22H20O10 (444.1056)


   

2-(5-oxo-2,3-dihydro[1,3]thiazolo[3,2:1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(5-oxo-2,3-dihydro[1,3]thiazolo[3,2:1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C21H15F3N4O2S (444.0868)


   

1-(3,4-Dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone

1-(3,4-Dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone

C20H14Cl2N4O2S (444.0214)


   

1-Amino-4-(1-naphthalenylamino)-9,10-dioxo-2-anthracenesulfonic acid

1-Amino-4-(1-naphthalenylamino)-9,10-dioxo-2-anthracenesulfonic acid

C24H16N2O5S (444.078)


   

5-(2,4-difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide

5-(2,4-difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide

C22H15F3N2O3S (444.0755)


   

3-[1-(4-bromophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,2-dimethylindole

3-[1-(4-bromophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,2-dimethylindole

C21H21BrN2O2S (444.0507)


   

4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide

4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide

C22H21ClN2O4S (444.091)


   

7-[(4-Fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione

7-[(4-Fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione

C20H17FN4O3S2 (444.0726)


   

1-Butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide

1-Butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide

C20H20N4O4S2 (444.0926)


   

2-[4-chloro-5-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-chloro-5-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide

C17H21ClN4O4S2 (444.0693)


   

4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzamide

4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzamide

C21H21BrN2O4 (444.0685)


   

3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid

3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid

C14H25N2O10PS (444.0967)


   

N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide

N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide

C21H21ClN4OS2 (444.0845)


   

8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide

8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide

C21H21BrN2O2S (444.0507)


   

N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide

N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide

C21H17ClN2O5S (444.0547)


   

Pseudobaptigenin 7-O-glucoside

Pseudobaptigenin 7-O-glucoside

C22H20O10 (444.1056)


   

{4-[2,3-Dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-6-methoxyphenyl}oxidanesulfonic acid

{4-[2,3-Dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-6-methoxyphenyl}oxidanesulfonic acid

C17H16O12S (444.0362)


   

6-[3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C18H20O13 (444.0904)


   

Xanthosine 5-(trihydrogen diphosphate)

Xanthosine 5-(trihydrogen diphosphate)

C10H14N4O12P2 (444.0083)


   

Formononetin 7-glucuronide

Formononetin 7-glucuronide

C22H20O10 (444.1056)


   

XDP

XDP

C10H14N4O12P2 (444.0083)


A purine ribonucleoside 5-diphosphate having xanthosine as the nucleobase.

   
   
   

CCG-222740

CCG-222740

C23H19ClF2N2O3 (444.1052)


CCG-222740 is an orally active and selective Rho/myocardin-related transcription factor (MRTF) pathway inhibitor[1]. CCG-222740 is also a potent inhibitor of alpha-smooth muscle actin protein expression. CCG-222740 effectively reduces fibrosis in skin and blocks melanoma metastasis[2].

   

JNJ-37822681 (dihydrochloride)

JNJ-37822681 (dihydrochloride)

C17H19Cl2F5N4 (444.0907)


JNJ-37822681 dihydrochloride is a potent, specific, centrally active, fast-dissociating dopamine D2 receptor antagonist with a moderate binding affinity for the dopamine D2L receptor (Ki =158 nM), which has potential for the treatment of schizophrenia and bipolar disorder[1][2].

   

VU0467154

VU0467154

C17H15F3N4O3S2 (444.0538)


VU0467154 is a positive allosteric modulator of the M4 muscarinic acetylcholine receptor (mAChR), potentiating the response to ACh with pEC50s of 7.75, 6.2 and 6 for rat, human and cynomolgus monkey M4 receptor, respectively.

   

[(1s,7s,16r,18r,19r)-1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl]acetic acid

[(1s,7s,16r,18r,19r)-1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl]acetic acid

C22H20O10 (444.1056)


   

methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O10 (444.1056)


   

methyl (6ar,7r,10ar)-3,6a,7,8,10a,12-hexahydroxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

methyl (6ar,7r,10ar)-3,6a,7,8,10a,12-hexahydroxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

C21H16O11 (444.0693)


   

(1r,7s,11s,19s,20r,23r)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),4(16),5,14-tetraene-3,9,17-trione

(1r,7s,11s,19s,20r,23r)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),4(16),5,14-tetraene-3,9,17-trione

C22H20O10 (444.1056)


   

3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

C18H24N2O7S2 (444.1025)


   

(1'r,2r,3's,4's,5r,7'r)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

(1'r,2r,3's,4's,5r,7'r)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

C18H24N2O7S2 (444.1025)


   

(1's,2s,3'r,4's,5s,7's,10's)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

(1's,2s,3'r,4's,5s,7's,10's)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

C18H24N2O7S2 (444.1025)


   

{1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl}acetic acid

{1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl}acetic acid

C22H20O10 (444.1056)


   

(1'r,2s,3's,4's,5r,7'r,10'r)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

(1'r,2s,3's,4's,5r,7'r,10'r)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

C18H24N2O7S2 (444.1025)


   

methyl 3,5-dichloro-2-[2,4-dimethoxy-6-(methoxycarbonyl)phenoxy]-6-hydroxy-4-methylbenzoate

methyl 3,5-dichloro-2-[2,4-dimethoxy-6-(methoxycarbonyl)phenoxy]-6-hydroxy-4-methylbenzoate

C19H18Cl2O8 (444.0379)


   

[(3r,4r,5s,6s)-6-(acetyloxy)-5-(benzoyloxy)-3-chloro-4-hydroxycyclohex-1-en-1-yl]methyl benzoate

[(3r,4r,5s,6s)-6-(acetyloxy)-5-(benzoyloxy)-3-chloro-4-hydroxycyclohex-1-en-1-yl]methyl benzoate

C23H21ClO7 (444.0976)


   

6,13,15-trichloro-14-hydroxy-5-methoxy-7,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

6,13,15-trichloro-14-hydroxy-5-methoxy-7,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

C20H19Cl3O5 (444.0298)


   

methyl 18,18-dibromooctadec-17-en-5,7-diynoate

methyl 18,18-dibromooctadec-17-en-5,7-diynoate

C19H26Br2O2 (444.0299)


   

ethyl 3,5-dichloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate

ethyl 3,5-dichloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate

C19H18Cl2O8 (444.0379)


   

methyl (6ar,7s,10as)-3,6a,7,10,10a,12-hexahydroxy-1-methyl-6,8,11-trioxo-7h-tetracene-2-carboxylate

methyl (6ar,7s,10as)-3,6a,7,10,10a,12-hexahydroxy-1-methyl-6,8,11-trioxo-7h-tetracene-2-carboxylate

C21H16O11 (444.0693)


   

methyl 3,6a,7,8,10a,12-hexahydroxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

methyl 3,6a,7,8,10a,12-hexahydroxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

C21H16O11 (444.0693)


   

14-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one

14-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one

C22H20O10 (444.1056)


   

14-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one

14-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one

C22H20O10 (444.1056)


   

9-methoxy-7-(2-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one

9-methoxy-7-(2-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one

C22H20O10 (444.1056)


   

3-(2h-1,3-benzodioxol-5-yl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

3-(2h-1,3-benzodioxol-5-yl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C22H20O10 (444.1056)


   

17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-3,5,7,9-tetraene-2,11,13-trione

17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-3,5,7,9-tetraene-2,11,13-trione

C22H20O10 (444.1056)


   

5,13,15-trichloro-14-hydroxy-6-methoxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

5,13,15-trichloro-14-hydroxy-6-methoxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

C20H19Cl3O5 (444.0298)


   

(2s,4s,5r)-4-{[(2r,3r,4r,5s,6r)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid

(2s,4s,5r)-4-{[(2r,3r,4r,5s,6r)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid

C14H24N2O12S (444.105)


   

(1s,7s,11s,19r,20r,23r)-3,17,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),3,6(14),16-tetraene-5,9,15-trione

(1s,7s,11s,19r,20r,23r)-3,17,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),3,6(14),16-tetraene-5,9,15-trione

C22H20O10 (444.1056)


   
   

(1s,12s,15r,17r,19s)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-3,5,7,9-tetraene-2,11,13-trione

(1s,12s,15r,17r,19s)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-3,5,7,9-tetraene-2,11,13-trione

C22H20O10 (444.1056)


   

methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O10 (444.1056)


   

2-[2-(3-acetyl-7,8-dihydroxy-1-oxoisochromen-6-yl)ethyl]naphtho[2,3-b]furan-4,9-dione

2-[2-(3-acetyl-7,8-dihydroxy-1-oxoisochromen-6-yl)ethyl]naphtho[2,3-b]furan-4,9-dione

C25H16O8 (444.0845)


   

(2r,3r,4r,6r,11'r,15'r)-3,4'-dihydroxy-6-methyl-2',9',13'-trioxo-12',16'-dioxaspiro[oxane-2,17'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1'(10'),3',5',7'-tetraen-4-yl acetate

(2r,3r,4r,6r,11'r,15'r)-3,4'-dihydroxy-6-methyl-2',9',13'-trioxo-12',16'-dioxaspiro[oxane-2,17'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1'(10'),3',5',7'-tetraen-4-yl acetate

C22H20O10 (444.1056)


   

(1s,3s,6r,8r,9s)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one

(1s,3s,6r,8r,9s)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one

C22H20O10 (444.1056)


   

9-chloro-6-hydroxy-10,20-dimethoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione

9-chloro-6-hydroxy-10,20-dimethoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione

C22H17ClO8 (444.0612)


   

(1s,2s,3s,6r,8r,9s,10s)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one

(1s,2s,3s,6r,8r,9s,10s)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one

C22H20O10 (444.1056)


   

[6-(acetyloxy)-5-(benzoyloxy)-3-chloro-4-hydroxycyclohex-1-en-1-yl]methyl benzoate

[6-(acetyloxy)-5-(benzoyloxy)-3-chloro-4-hydroxycyclohex-1-en-1-yl]methyl benzoate

C23H21ClO7 (444.0976)


   

(1s,2s,3s,6r,8r,9s,10r)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one

(1s,2s,3s,6r,8r,9s,10r)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one

C22H20O10 (444.1056)


   

methyl 3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate

methyl 3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate

C22H20O10 (444.1056)


   

(1s,10r,11s,19s,20s)-19-chloro-16-hydroxy-10,20-dimethoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione

(1s,10r,11s,19s,20s)-19-chloro-16-hydroxy-10,20-dimethoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione

C22H17ClO8 (444.0612)


   

methyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate

methyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate

C22H20O10 (444.1056)


   

(1r,7s,11s,13s,19s,20r,23r)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),4(16),5,14-tetraene-3,9,17-trione

(1r,7s,11s,13s,19s,20r,23r)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),4(16),5,14-tetraene-3,9,17-trione

C22H20O10 (444.1056)


   

{4,5,13,20-tetrahydroxy-7,18-dimethyl-2,11-dioxo-8,17-dioxahexacyclo[10.8.0.0³,¹⁰.0⁴,⁶.0⁶,⁹.0¹⁴,¹⁹]icosa-1(12),3(10),13,19-tetraen-16-yl}acetic acid

{4,5,13,20-tetrahydroxy-7,18-dimethyl-2,11-dioxo-8,17-dioxahexacyclo[10.8.0.0³,¹⁰.0⁴,⁶.0⁶,⁹.0¹⁴,¹⁹]icosa-1(12),3(10),13,19-tetraen-16-yl}acetic acid

C22H20O10 (444.1056)