Exact Mass: 412.1886

Exact Mass Matches: 412.1886

Found 149 metabolites which its exact mass value is equals to given mass value 412.1886, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Bisindolylmaleimide i

3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

C25H24N4O2 (412.1899)


   

GF 109203X

bisindolylmaleimide i

C25H24N4O2 (412.1899)


D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

   

Isopentyl gentiobioside

2-(3-methylbutoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C17H32O11 (412.1945)


Isopentyl gentiobioside is found in garden tomato. Isopentyl gentiobioside is a constituent of tomato cell cultures (Lycopersicon esculentum). Constituent of tomato cell cultures (Lycopersicon esculentum). Isopentyl gentiobioside is found in garden tomato.

   

17-Hydroxypregnenolone sulfate

[(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxidanesulfonic acid

C21H32O6S (412.1919)


17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids (Wikipedia). 17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

Deoxypyridinoline

4-(2-Amino-2-carboxyethyl)-1-(5-amino-5-carboxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-pyridinium inner salt stereoisomer

C18H28N4O7 (412.1958)


Deoxypyridinoline (DPD) is a breakdown product of type I fibrillar collagen, it occurs mainly in Type I collagen of bone. DPD shows a high specificity for bone, and the measurement of urinary DPD is not influenced by newly collagens and dietary intake. DPD cross-links of type 1 collagen are excreted in urine either as free or peptide-bound moieties. It is the peptide-bound cross-links that decrease by the greatest amount in response to bisphosphonate therapy. DPD is one of the most extensively characterized biochemical bone markers, but the interpretation of results is hampered by biologic and other preanalytical variability. Biochemical bone markers can provide a valuable tool in the management of metabolic bone diseases. Their most recognized application in clinical practice is for monitoring treatment for osteoporosis as an adjunct to bone mineral density measurements. Other applications that have been investigated include their use as a diagnostic tool for bone diseases other than osteoporosis and as predictive markers for bone loss and the risk of bone fracture. DPD measured in urine follow a circadian or diurnal cycle with a peak in the early morning and nadir in the late afternoon to early evening. The magnitude of the diurnal change, i.e., nadir concentration divided by peak concentration, expressed as a percentage is around 70\\% (range, 53-75\\%). (PMID: 11805003, 17229003, 16751696). Derived from collagen cross-links formed between adjacent lysine residues in type I collagen of bone and dentine. Released into serum during bone resorption

   

Cinalukast

3-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}carbamoyl)-2,2-diethylpropanoic acid

C23H28N2O3S (412.1821)


Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent

   

17-Hydroxypregnenolone 3-sulfate

{14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl}oxidanesulfonic acid

C21H32O6S (412.1919)


   

Rhomellose

6-(hydroxymethyl)-5-methoxy-2-{[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy}oxane-3,4-diol

C17H32O11 (412.1945)


   

3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one

5-[2-(Dimethylamino)ethyl]-8-methyl-2-(4-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetic acid

C23H28N2O3S (412.1821)


   

12-Acetoxycalanolide A

12-Acetoxycalanolide A

C24H28O6 (412.1886)


   
   

NIGROLINEAXANTHONE O

NIGROLINEAXANTHONE O

C24H28O6 (412.1886)


   

Penicitrinol B

Penicitrinol B

C24H28O6 (412.1886)


A furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

   

(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol

(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol

C24H28O6 (412.1886)


   

(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol

(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol

C24H28O6 (412.1886)


   

Vismiaphenone G

Vismiaphenone G

C24H28O6 (412.1886)


   

(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol

(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol

C24H28O6 (412.1886)


   

12-Acetoxycalanolide B

12-Acetoxycalanolide B

C24H28O6 (412.1886)


   
   

aspercyclide B

aspercyclide B

C24H28O6 (412.1886)


   

Garcinone C

Garcinone C

C24H28O6 (412.1886)


   

1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide

1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide

C24H28O6 (412.1886)


   

(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside

(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside

C19H28N2O8 (412.1846)


   

1beta-p-coumaroyloxyvaldiviolide

1beta-p-coumaroyloxyvaldiviolide

C24H28O6 (412.1886)


   

6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin

6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin

C24H28O6 (412.1886)


   

14beta-hydroxypregn-5-enolone-3-O-sulfate

14beta-hydroxypregn-5-enolone-3-O-sulfate

C21H32O6S (412.1919)


   

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

C24H28O6 (412.1886)


   

Diaethylfuroguaiaoxidin|diethylfuroguaiaoxidin

Diaethylfuroguaiaoxidin|diethylfuroguaiaoxidin

C24H28O6 (412.1886)


   

3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one

3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one

C24H28O6 (412.1886)


   

3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone

3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone

C24H28O6 (412.1886)


   

penicitrinol F

penicitrinol F

C24H28O6 (412.1886)


   

(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D

(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D

C24H28O6 (412.1886)


   

pentyl O-beta-(2-O-beta-D-glucopyranosyl)-D-glucopyranoside

pentyl O-beta-(2-O-beta-D-glucopyranosyl)-D-glucopyranoside

C17H32O11 (412.1945)


   

grandosine|isopentyl grandoside

grandosine|isopentyl grandoside

C17H32O11 (412.1945)


   

tashironin C

tashironin C

C24H28O6 (412.1886)


   

3-O-sulfoisoasterone tyramonium salt

3-O-sulfoisoasterone tyramonium salt

C21H32O6S (412.1919)


   

1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial

1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial

C24H28O6 (412.1886)


   

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one

C24H28O6 (412.1886)


   
   
   
   

9-OH-Risperidone

9-OH-Risperidone

C22H25FN4O3 (412.1911)


CONFIDENCE standard compound; INTERNAL_ID 1568

   

Ala Glu Pro Pro

(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-4-carboxybutanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

C18H28N4O7 (412.1958)


   

Ala Pro Glu Pro

(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C18H28N4O7 (412.1958)


   

Ala Pro Pro Glu

(2S)-2-{[(2S)-1-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}pentanedioic acid

C18H28N4O7 (412.1958)


   

Glu Ala Pro Pro

(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

C18H28N4O7 (412.1958)


   

Glu Pro Ala Pro

(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}propanoyl]pyrrolidine-2-carboxylic acid

C18H28N4O7 (412.1958)


   

Glu Pro Pro Ala

(4S)-4-amino-5-[(2S)-2-{[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]carbonyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C18H28N4O7 (412.1958)


   
   

Pro Ala Glu Pro

(2S)-1-[(2S)-4-carboxy-2-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanoyl]pyrrolidine-2-carboxylic acid

C18H28N4O7 (412.1958)


   

Pro Ala Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C18H28N4O7 (412.1958)


   

Pro Glu Ala Pro

(2S)-1-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanoyl]pyrrolidine-2-carboxylic acid

C18H28N4O7 (412.1958)


   

Pro Glu Pro Ala

(4S)-5-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-5-oxo-4-[(2S)-pyrrolidin-2-ylformamido]pentanoic acid

C18H28N4O7 (412.1958)


   

Pro Pro Ala Glu

(2S)-2-[(2S)-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}propanamido]pentanedioic acid

C18H28N4O7 (412.1958)


   

Pro Pro Glu Ala

(4S)-4-{[(1S)-1-carboxyethyl]carbamoyl}-4-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}butanoic acid

C18H28N4O7 (412.1958)


   
   
   

17α,20β-Hydroxyprogesterone sulfate

17α,20β-Hydroxyprogesterone sulfate

C21H32O6S (412.1919)


   

3-β-hydroxy-20-oxopregn-5-en-17-α-yl sulfate

3-β-hydroxy-20-oxopregn-5-en-17-α-yl sulfate

C21H32O6S (412.1919)


   

deoxypyridinoline

deoxypyridinoline

C18H28N4O7 (412.1958)


   

17-Hydroxypregnenolone sulfate

17-Hydroxypregnenolone sulfate

C21H32O6S (412.1919)


   

Cinalukast

3-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}carbamoyl)-2,2-diethylpropanoic acid

C23H28N2O3S (412.1821)


C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent

   

Isopentyl gentiobioside

2-(3-methylbutoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C17H32O11 (412.1945)


   

6-Bromo-5E,9Z,13Z-docosatrienoic acid

6-Bromo-5E,9Z,13Z-docosatrienoic acid

C22H37BrO2 (412.1977)


   

ST 21:2;O3;S

17-Hydroxypregnenolone sulfate

C21H32O6S (412.1919)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

C26H24N2O3 (412.1787)


   

1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine

1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine

C30H24N2 (412.1939)


   
   

N,N,N-Triphenylbenzidine

N,N,N-Triphenylbenzidine

C30H24N2 (412.1939)


   
   

N-Biphenyl-4-yl-N,N-diphenylbenzene-1,4-diamine

N-Biphenyl-4-yl-N,N-diphenylbenzene-1,4-diamine

C30H24N2 (412.1939)


   

BIX02188

BIX02188

C25H24N4O2 (412.1899)


BIX02188 is a potent MEK5-selective inhibitor with an IC50 of 4.3 nM. BIX02188 inhibits ERK5 catalytic activity, with an IC50 of 810 nM.

   

N1,N4-di(biphenyl-4-yl)benzene-1,4-diamine

N1,N4-di(biphenyl-4-yl)benzene-1,4-diamine

C30H24N2 (412.1939)


   

2-BROMO-1 4-BIS(2-ETHYLHEXYLOXY)BENZENE

2-BROMO-1 4-BIS(2-ETHYLHEXYLOXY)BENZENE

C22H37BrO2 (412.1977)


   

1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone

1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone

C24H28O6 (412.1886)


   

6,7-Dihydroxybergamottin acetonide

6,7-Dihydroxybergamottin acetonide

C24H28O6 (412.1886)


   

JNJ-27390467 free base

JNJ-27390467 free base

C26H24N2O3 (412.1787)


   

4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol

4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol

C25H24N4O2 (412.1899)


   

6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one

6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one

C26H24N2O3 (412.1787)


   

21-Hydroxypregnenolone, 21-sulfate

21-Hydroxypregnenolone, 21-sulfate

C21H32O6S (412.1919)


   

5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile

5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile

C21H22F2N6O (412.1823)


   

Desmethyl Paliperidone

Desmethyl Paliperidone

C22H25FN4O3 (412.1911)


   

Lysylpyridinoline

Lysylpyridinoline

C18H28N4O7 (412.1958)


   

17-Hydroxypregnenolone 3-sulfate

17-Hydroxypregnenolone 3-sulfate

C21H32O6S (412.1919)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine

1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine

C24H29ClN2O2 (412.1917)


   

N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide

N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide

C23H28N2O3S (412.1821)


   

4-[4-[5-[3-[(Cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone

4-[4-[5-[3-[(Cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone

C25H24N4O2 (412.1899)


   

[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol

[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol

C24H29ClN2O2 (412.1917)


   

2-(1,3-Benzoxazol-2-ylamino)-7-phenyl-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

2-(1,3-Benzoxazol-2-ylamino)-7-phenyl-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

C25H24N4O2 (412.1899)


   

2-[(5-Phenyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

2-[(5-Phenyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one

C25H24N4O2 (412.1899)


   

(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C26H24N2O3 (412.1787)


   

[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone

[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone

C21H27F3N2O3 (412.1974)


   

1-[(2S,3S)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone

1-[(2S,3S)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone

C21H27F3N2O3 (412.1974)


   

[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone

[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone

C21H27F3N2O3 (412.1974)


   

[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone

[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone

C21H27F3N2O3 (412.1974)


   

1-[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone

1-[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone

C21H27F3N2O3 (412.1974)


   
   
   
   
   
   
   

(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide

(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide

C19H28N2O8 (412.1846)


   

17alpha-hydroxypregnenolone 3-sulfate

17alpha-hydroxypregnenolone 3-sulfate

C21H32O6S (412.1919)


A steroid sulfate that is 17alpha-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.

   

Hydroxypregnenolone sulfate

Hydroxypregnenolone sulfate

C21H32O6S (412.1919)


   

Desmethyl cariprazine

Desmethyl cariprazine

C20H30Cl2N4O (412.1797)


Desmethyl cariprazine is an active metabolite of Cariprazine[1]. Cariprazine, an antipsychotic agent candidate, exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (2.6 nM)[2].

   

HIF1-IN-3

HIF1-IN-3

C26H24N2O3 (412.1787)


HIF1-IN-3 (compound F4) is a potent HIF1 inhibitor with an EC50 value of 0.9 μM. HIF1-IN-3 can be used for researching anticancer[1].

   

(4s,4ar,5r,6s)-3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate

(4s,4ar,5r,6s)-3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate

C24H28O6 (412.1886)


   

1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl 3-(4-hydroxyphenyl)prop-2-enoate

1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl 3-(4-hydroxyphenyl)prop-2-enoate

C24H28O6 (412.1886)


   

(2e)-n-(4-aminobutyl)-3-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid

(2e)-n-(4-aminobutyl)-3-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid

C19H28N2O8 (412.1846)


   

4-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol

4-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol

C24H28O6 (412.1886)


   

7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl 3-(4-hydroxyphenyl)prop-2-enoate

7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl 3-(4-hydroxyphenyl)prop-2-enoate

C24H28O6 (412.1886)


   

{1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acid

{1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acid

C21H32O6S (412.1919)


   

(12r,15s,16r,17r)-16-[(2r)-2-hydroxy-3-methylbutanoyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,15s,16r,17r)-16-[(2r)-2-hydroxy-3-methylbutanoyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1886)


   

6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one

6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one

C24H28O6 (412.1886)


   

(12r,15s,16r,17r)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,15s,16r,17r)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1886)


   

(1s,4s,6r,8s,9r,10r,11r)-10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl (2z)-3-(methylsulfanyl)prop-2-enoate

(1s,4s,6r,8s,9r,10r,11r)-10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl (2z)-3-(methylsulfanyl)prop-2-enoate

C21H32O6S (412.1919)


   

16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

C24H28O6 (412.1886)


   

(12r,15s,16r,17r)-16-[(2s)-2-hydroperoxy-3-methylbut-3-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,15s,16r,17r)-16-[(2s)-2-hydroperoxy-3-methylbut-3-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1886)


   

(9e,11s,12s)-6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one

(9e,11s,12s)-6,11-dihydroxy-7-(hydroxymethyl)-16-methyl-12-pentyl-2,13-dioxatricyclo[13.3.1.0³,⁸]nonadeca-1(18),3,5,7,9,15(19),16-heptaen-14-one

C24H28O6 (412.1886)


   

(2r)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one

(2r)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one

C24H28O6 (412.1886)


   

16-(2-hydroxy-3-methylbutanoyl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

16-(2-hydroxy-3-methylbutanoyl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1886)


   

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C17H32O11 (412.1945)


   

[(1r,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1r,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C21H32O6S (412.1919)


   

2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

C24H28O6 (412.1886)


   

(8s)-8,10-dihydroxy-7-methoxy-3-[(2e,4r)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1h-cyclohexa[g]isochromen-9-one

(8s)-8,10-dihydroxy-7-methoxy-3-[(2e,4r)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1h-cyclohexa[g]isochromen-9-one

C24H28O6 (412.1886)


   

(2r,3r,4r)-2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

(2r,3r,4r)-2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

C24H28O6 (412.1886)


   

(1s,5r,11s,12r,15s,16s)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

(1s,5r,11s,12r,15s,16s)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

C24H28O6 (412.1886)


   

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C17H32O11 (412.1945)


   

(12r,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1886)


   

(1r,6s,7r,17s,18r)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-2(10),4,12,14,16(20)-pentaen-3-one

(1r,6s,7r,17s,18r)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-2(10),4,12,14,16(20)-pentaen-3-one

C24H28O6 (412.1886)


   

(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C24H28O6 (412.1886)


   

4-[(1r,2r,3s,4s)-2-[4-(acetyloxy)-3-methoxyphenyl]-3,4-dimethylcyclobutyl]-2-methoxyphenyl acetate

4-[(1r,2r,3s,4s)-2-[4-(acetyloxy)-3-methoxyphenyl]-3,4-dimethylcyclobutyl]-2-methoxyphenyl acetate

C24H28O6 (412.1886)


   

10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl 3-(methylsulfanyl)prop-2-enoate

10-(acetyloxy)-9-isopropyl-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl 3-(methylsulfanyl)prop-2-enoate

C21H32O6S (412.1919)


   

[(1s,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1s,3as,3bs,5s,5as,7s,9as,11as)-1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C21H32O6S (412.1919)


   

3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate

3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate

C24H28O6 (412.1886)


   

n-(4-aminobutyl)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid

n-(4-aminobutyl)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid

C19H28N2O8 (412.1846)


   

(1r,5as,9r,9as,9br)-1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

(1r,5as,9r,9as,9br)-1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate

C24H28O6 (412.1886)


   

4-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol

4-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol

C24H28O6 (412.1886)


   

(12r,15s,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

(12r,15s,16r,17s)-16-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1886)


   

(2r,3r,4s)-2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

(2r,3r,4s)-2,3,10,10-tetramethyl-6-oxo-8-propyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate

C24H28O6 (412.1886)


   

16-(3-hydroperoxy-3-methylbut-1-en-1-yl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

16-(3-hydroperoxy-3-methylbut-1-en-1-yl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1886)


   

(1r,5r,11s,12r,15r,16r)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

(1r,5r,11s,12r,15r,16r)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.0¹,¹².0⁵,¹¹]octadec-9-ene-3,8,18-trione

C24H28O6 (412.1886)


   

16-(2-hydroperoxy-3-methylbut-3-en-1-yl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

16-(2-hydroperoxy-3-methylbut-3-en-1-yl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

C24H28O6 (412.1886)


   

8,10-dihydroxy-7-methoxy-3-(4-methylhex-2-en-2-yl)-8-(2-oxopropyl)-1h-cyclohexa[g]isochromen-9-one

8,10-dihydroxy-7-methoxy-3-(4-methylhex-2-en-2-yl)-8-(2-oxopropyl)-1h-cyclohexa[g]isochromen-9-one

C24H28O6 (412.1886)


   

(1r,6s,7r,9r,17s,18r)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-2(10),4,12,14,16(20)-pentaen-3-one

(1r,6s,7r,9r,17s,18r)-14-hydroxy-9-methoxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁶,²⁰]icosa-2(10),4,12,14,16(20)-pentaen-3-one

C24H28O6 (412.1886)


   

1,3,5-trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)xanthen-9-one

1,3,5-trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)xanthen-9-one

C24H28O6 (412.1886)