Exact Mass: 488.2342992
Exact Mass Matches: 488.2342992
Found 500 metabolites which its exact mass value is equals to given mass value 488.2342992
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Jamaicamide B
C27H37ClN2O4 (488.24417120000004)
7-Sulfocholic acid
C24H40O8S (488.24437600000005)
7-Sulfocholic acid is a naturally occurring bile acid sulfate conjugate that has been identified in human bile (PMID: 7320139) and human urine. (PMID: 3584362). In mice significantly less cholic acid 7-sulfate (5-7\\%) is present in bladder bile and small intestine than in the cecum, colon, or feces (>80\\%). (PMID: 954753). 7-Sulfocholic acid is a naturally occurring bile acid sulfate conjugate that has been identified in human bile (PMID: 7320139) and human urine. (PMID: 3584362)
Prednicarbate
Prednicarbate is a relatively new topical corticosteroid drug. It is similar in potency to hydrocortisone. It is used in the treatment of inflammatory skin diseases, such as atopic dermatitis. It has a favorable benefit-risk ratio, with an inflammatory action similar to that of a medium potency corticosteroid, but with a low potential to cause skin atrophy. The anti-inflammation action of corticosteroids is associated with the inhibition of the interleukin 1-alpha cytokine within keratinocytes. IL-1a is also found in fibroblasts, where it is responsible for proliferation, collagenase induction and IL-6 synthesis, which are related to skin thickness.
13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl (2E)-2-methylbut-2-enoate
2-acetyldihydropenstemide|2-O-acetyldihydropenstemide
C23H36O11 (488.22575059999997)
2alpha-acetoxy-6alpha-p-methoxybenzoyl-10alpha-acetoxy-jaeschkeanadiol
3,3-Methylenebis(2,4-dihydroxy-6-methoxy-beta,5-dimethylbutyrophenone)
8alpha,11alpha-diangeloyloxy-10beta-acetoxyslov-3-enolide
Me ester,tri-Ac-11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid|Tri-Ac,Me ester-11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid
17-acetyloxy-3-O-angeloyl-ingenol|[(1R,1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1-(acetyloxy)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,7,9-trimethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl]methyl (2Z)-2-methylbut-2-enoate
(?)-2,11-dimethoxy-4-methylenehydroxy-13-[2,5-dihydro-5-methyl-3-oxofuranyl]picras-14-ene-1,16-dione|(?)-odyendanol
8alpha-acetoxy-2beta,10beta-angeloyloxy-6alphaH,7alphaH-guaian-3-en-12,6-olide
4-methoxy-2-methyl-5-(1-methylethyl)phenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|5-methoxycarvacrol 2-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
C23H36O11 (488.22575059999997)
2,4-Dihydroxy-1,3-dimethyl-5-(3-methylbutanoyl)-3-[[2,6-dihydroxy-3-methyl-4-methoxy-5-(3-methylbutanoyl)phenyl]methyl]-1,4-cyclohexadien-6-one
7-O-malonyl macrolactin A|7-O-malonylmacrolactin A
3-O-acetyl-20-O-angeloyl-17-hydroxyingenol|[(1R,1aR,2S,5R,5aS,6S,8aS,9R,10aR)-6-(acetyloxy)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1-(hydroxymethyl)-1,7,9-trimethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-4-yl]methyl (2Z)-2-methylbut-2-enoate
Ala Asn Glu Arg
Ala Glu Asn Arg
C27H36O8_2-Butenoic acid, 2-methyl-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)
Sulfocholic acid
C24H40O8S (488.24437600000005)
CONFIDENCE standard compound; INTERNAL_ID 293
3a-Sulfate-7a,12a-(OH)2-5b-cholanic acid
C24H40O8S (488.24437600000005)
BA-143-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-143-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-143-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-143-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-143-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
(2R,2R,4aS,6S,7R,8aS)-7-formyl-4-hydroxy-6-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-2H,3H-spiro[benzofuran-2,1-naphthalene]-6,7-diyl diacetate
(4R)-4-((3R,5R,7R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
C24H40O8S (488.24437600000005)
(R)-4-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
C24H40O8S (488.24437600000005)
Ala Asp Gln Arg
Ala Asp Arg Gln
Ala Glu Arg Asn
Ala His Val Tyr
Ala His Tyr Val
Ala Asn Arg Glu
Ala Asn Val Trp
Ala Asn Trp Val
Ala Gln Asp Arg
Ala Gln Arg Asp
Ala Arg Asp Gln
Ala Arg Glu Asn
Ala Arg Asn Glu
Ala Arg Gln Asp
Ala Val His Tyr
Ala Val Asn Trp
Ala Val Trp Asn
Ala Val Tyr His
Ala Trp Asn Val
Ala Trp Val Asn
Ala Tyr His Val
Ala Tyr Val His
Asp Ala Gln Arg
Asp Ala Arg Gln
Asp Gln Ala Arg
Asp Gln Arg Ala
Asp Arg Ala Gln
Asp Arg Gln Ala
Glu Ala Asn Arg
Glu Ala Arg Asn
Glu Phe Pro Pro
C24H32N4O7 (488.22708819999997)
Glu Gly Gln Arg
Glu Gly Arg Gln
Glu Ile Met Pro
Glu Ile Pro Met
Glu Leu Met Pro
Glu Leu Pro Met
Glu Met Ile Pro
Glu Met Leu Pro
Glu Met Pro Ile
Glu Met Pro Leu
Glu Asn Ala Arg
Glu Asn Arg Ala
Glu Pro Phe Pro
C24H32N4O7 (488.22708819999997)
Glu Pro Ile Met
Glu Pro Leu Met
Glu Pro Met Ile
Glu Pro Met Leu
Glu Pro Pro Phe
C24H32N4O7 (488.22708819999997)
Glu Gln Gly Arg
Glu Gln Arg Gly
Glu Arg Ala Asn
Glu Arg Gly Gln
Glu Arg Asn Ala
Glu Arg Gln Gly
Phe Glu Pro Pro
C24H32N4O7 (488.22708819999997)
Phe His Ser Val
Phe His Val Ser
Phe Pro Glu Pro
C24H32N4O7 (488.22708819999997)
Phe Pro Pro Glu
C24H32N4O7 (488.22708819999997)
Phe Ser His Val
Phe Ser Val His
Phe Val His Ser
Phe Val Ser His
Gly Glu Gln Arg
Gly Glu Arg Gln
Gly His Ile Tyr
Gly His Leu Tyr
Gly His Tyr Ile
Gly His Tyr Leu
Gly Ile His Tyr
Gly Ile Asn Trp
Gly Ile Trp Asn
Gly Ile Tyr His
Gly Leu His Tyr
Gly Leu Asn Trp
Gly Leu Trp Asn
Gly Leu Tyr His
Gly Asn Ile Trp
Gly Asn Leu Trp
Gly Asn Trp Ile
Gly Asn Trp Leu
Gly Gln Glu Arg
Gly Gln Arg Glu
Gly Gln Val Trp
Gly Gln Trp Val
Gly Arg Glu Gln
Gly Arg Gln Glu
Gly Val Gln Trp
Gly Val Trp Gln
Gly Trp Ile Asn
Gly Trp Leu Asn
Gly Trp Asn Ile
Gly Trp Asn Leu
Gly Trp Gln Val
Gly Trp Val Gln
Gly Tyr His Ile
Gly Tyr His Leu
Gly Tyr Ile His
Gly Tyr Leu His
His Ala Val Tyr
His Ala Tyr Val
His Phe Ser Val
His Phe Val Ser
His Gly Ile Tyr
His Gly Leu Tyr
His Gly Tyr Ile
His Gly Tyr Leu
His Ile Gly Tyr
His Ile Tyr Gly
His Leu Gly Tyr
His Leu Tyr Gly
His Ser Phe Val
His Ser Val Phe
His Val Ala Tyr
His Val Phe Ser
His Val Ser Phe
His Val Tyr Ala
His Tyr Ala Val
His Tyr Gly Ile
His Tyr Gly Leu
His Tyr Ile Gly
His Tyr Leu Gly
His Tyr Val Ala
Ile Glu Met Pro
Ile Glu Pro Met
Ile Gly His Tyr
Ile Gly Asn Trp
Ile Gly Trp Asn
Ile Gly Tyr His
Ile His Gly Tyr
Ile His Tyr Gly
Ile Met Glu Pro
Ile Met Pro Glu
Ile Asn Gly Trp
Ile Asn Trp Gly
Ile Pro Glu Met
Ile Pro Met Glu
Ile Trp Gly Asn
Ile Trp Asn Gly
Ile Tyr Gly His
Ile Tyr His Gly
Lys Met Asn Pro
Lys Met Pro Asn
Lys Asn Met Pro
Lys Asn Asn Asn
Lys Asn Pro Met
Lys Pro Met Asn
Lys Pro Asn Met
Leu Glu Met Pro
Leu Glu Pro Met
Leu Gly His Tyr
Leu Gly Asn Trp
Leu Gly Trp Asn
Leu Gly Tyr His
Leu His Gly Tyr
Leu His Tyr Gly
Leu Met Glu Pro
Leu Met Pro Glu
Leu Asn Gly Trp
Leu Asn Trp Gly
Leu Pro Glu Met
Leu Pro Met Glu
Leu Trp Gly Asn
Leu Trp Asn Gly
Leu Tyr Gly His
Leu Tyr His Gly
Met Glu Ile Pro
Met Glu Leu Pro
Met Glu Pro Ile
Met Glu Pro Leu
Met Ile Glu Pro
Met Ile Pro Glu
Met Lys Asn Pro
Met Lys Pro Asn
Met Leu Glu Pro
Met Leu Pro Glu
Met Asn Lys Pro
Met Asn Pro Lys
Met Pro Glu Ile
Met Pro Glu Leu
Met Pro Ile Glu
Met Pro Lys Asn
Met Pro Leu Glu
Met Pro Asn Lys
Asn Ala Glu Arg
Asn Ala Arg Glu
Asn Ala Val Trp
Asn Ala Trp Val
Asn Glu Ala Arg
Asn Glu Arg Ala
Asn Gly Ile Trp
Asn Gly Leu Trp
Asn Gly Trp Ile
Asn Gly Trp Leu
Asn Ile Gly Trp
Asn Ile Trp Gly
Asn Lys Met Pro
Asn Lys Asn Asn
Asn Lys Pro Met
Asn Leu Gly Trp
Asn Leu Trp Gly
Asn Met Lys Pro
Asn Met Pro Lys
Asn Asn Lys Asn
Asn Asn Asn Lys
Asn Pro Lys Met
Asn Pro Met Lys
Asn Arg Ala Glu
Asn Arg Glu Ala
Asn Val Ala Trp
Asn Val Trp Ala
Asn Trp Ala Val
Asn Trp Gly Ile
Asn Trp Gly Leu
Asn Trp Ile Gly
Asn Trp Leu Gly
Asn Trp Val Ala
Pro Glu Phe Pro
C24H32N4O7 (488.22708819999997)
Pro Glu Ile Met
Pro Glu Leu Met
Pro Glu Met Ile
Pro Glu Met Leu
Pro Glu Pro Phe
C24H32N4O7 (488.22708819999997)
Pro Phe Glu Pro
C24H32N4O7 (488.22708819999997)
Pro Phe Pro Glu
C24H32N4O7 (488.22708819999997)
Pro Ile Glu Met
Pro Ile Met Glu
Pro Lys Met Asn
Pro Lys Asn Met
Pro Leu Glu Met
Pro Leu Met Glu
Pro Met Glu Ile
Pro Met Glu Leu
Pro Met Ile Glu
Pro Met Lys Asn
Pro Met Leu Glu
Pro Met Asn Lys
Pro Asn Lys Met
Pro Asn Met Lys
Pro Pro Glu Phe
C24H32N4O7 (488.22708819999997)
Pro Pro Phe Glu
C24H32N4O7 (488.22708819999997)
Gln Ala Asp Arg
Gln Ala Arg Asp
Gln Asp Ala Arg
Gln Asp Arg Ala
Gln Glu Gly Arg
Gln Glu Arg Gly
Gln Gly Glu Arg
Gln Gly Arg Glu
Gln Gly Val Trp
Gln Gly Trp Val
Gln Arg Ala Asp
Gln Arg Asp Ala
Gln Arg Glu Gly
Gln Arg Gly Glu
Gln Val Gly Trp
Gln Val Trp Gly
Gln Trp Gly Val
Gln Trp Val Gly
Arg Ala Asp Gln
Arg Ala Glu Asn
Arg Ala Asn Glu
Arg Ala Gln Asp
Arg Asp Ala Gln
Arg Asp Gln Ala
Arg Glu Ala Asn
Arg Glu Gly Gln
Arg Glu Asn Ala
Arg Glu Gln Gly
Arg Gly Glu Gln
Arg Gly Gln Glu
Arg Asn Ala Glu
Arg Asn Glu Ala
Arg Gln Ala Asp
Arg Gln Asp Ala
Arg Gln Glu Gly
Arg Gln Gly Glu
Ser Phe His Val
Ser Phe Val His
Ser His Phe Val
Ser His Val Phe
Ser Val Phe His
Ser Val His Phe
Val Ala His Tyr
Val Ala Asn Trp
Val Ala Trp Asn
Val Ala Tyr His
Val Phe His Ser
Val Phe Ser His
Val Gly Gln Trp
Val Gly Trp Gln
Val His Ala Tyr
Val His Phe Ser
Val His Ser Phe
Val His Tyr Ala
Val Asn Ala Trp
Val Asn Trp Ala
Val Gln Gly Trp
Val Gln Trp Gly
Val Ser Phe His
Val Ser His Phe
Val Trp Ala Asn
Val Trp Gly Gln
Val Trp Asn Ala
Val Trp Gln Gly
Val Tyr Ala His
Val Tyr His Ala
Trp Ala Asn Val
Trp Ala Val Asn
Trp Gly Ile Asn
Trp Gly Leu Asn
Trp Gly Asn Ile
Trp Gly Asn Leu
Trp Gly Gln Val
Trp Gly Val Gln
Trp Ile Gly Asn
Trp Ile Asn Gly
Trp Leu Gly Asn
Trp Leu Asn Gly
Trp Asn Ala Val
Trp Asn Gly Ile
Trp Asn Gly Leu
Trp Asn Ile Gly
Trp Asn Leu Gly
Trp Asn Val Ala
Trp Gln Gly Val
Trp Gln Val Gly
Trp Val Ala Asn
Trp Val Gly Gln
Trp Val Asn Ala
Trp Val Gln Gly
Tyr Ala His Val
Tyr Ala Val His
Tyr Gly His Ile
Tyr Gly His Leu
Tyr Gly Ile His
Tyr Gly Leu His
Tyr His Ala Val
Tyr His Gly Ile
Tyr His Gly Leu
Tyr His Ile Gly
Tyr His Leu Gly
Tyr His Val Ala
Tyr Ile Gly His
Tyr Ile His Gly
Tyr Leu Gly His
Tyr Leu His Gly
Tyr Val Ala His
Tyr Val His Ala
Prednicarbate
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000893 - Anti-Inflammatory Agents
(3a,5b,7a,12a), 3,12-dihydroxy-7-(sulfooxy)-Cholan-24-oic acid
C24H40O8S (488.24437600000005)
(3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid
C24H40O8S (488.24437600000005)
7-Sulfocholic acid
C24H40O8S (488.24437600000005)
N4,N4-di([1,1-biphenyl]-4-yl)-[1,1-biphenyl]-4,4-diamine
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
N-(4-(4-(4-Morpholinyl)-6-(3-oxa-8-azabicyclo(3.2.1)oct-8-yl)-1,3,5-triazin-2-yl)phenyl)-N-4-pyridinylurea
C25H28N8O3 (488.22842579999997)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
[13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
(4R,7S,14R,17R)-4,14-diphenyl-1,5,11,15-tetrazatricyclo[15.3.0.07,11]icosane-2,6,12,16-tetrone
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
(2S,3S,3aR,9bR)-2-(4-benzylpiperidine-1-carbonyl)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
(1S,9R,10R,11R)-10-(hydroxymethyl)-5-(2-methoxyphenyl)-6-oxo-12-propyl-N-(pyridin-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-5-(2-methoxyphenyl)-6-oxo-12-propyl-N-(pyridin-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
cyclobutyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanone
cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[oxo(pyridin-4-yl)methyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanone
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]propanamide
(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
C24H40O8S (488.24437600000005)
[(2R,3S,4aS,7R,8R,8aS)-3-acetyloxy-7-formyl-4-hydroxy-6-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2-3H-1-benzofuran]-2-yl] acetate
(E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradec-4-en-13-ynamide
C27H37ClN2O4 (488.24417120000004)
JNJ-47965567
JNJ-47965567 is a centrally permeable, high-affinity, selective P2X7 antagonist, with pKis of 7.9 and 8.7 for human and rat P2X7, respectively. JNJ-47965567 can be used to probe the role of central P2X7 in rodent models of CNS pathophysiology[1].
1,8-bis(acetyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 4-methoxybenzoate
14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl 2-methylbut-2-enoate
(1s,2s,5s,6r,10r,11r,13s,14s,18s,20r)-6-(furan-3-yl)-11,15,18-trihydroxy-5,10-dimethyl-8-oxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-20-yl acetate
(1r,2s,3r,7s,9s,12r,13r,15r,17r,18r)-13-(furan-2-yl)-15-isopropyl-4,6,6,12-tetramethyl-8,14,19,20-tetraoxahexacyclo[13.3.1.1³,¹⁸.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]icos-4-ene-2,3,9-triol
(1s,6r,13s,14r,15r)-14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl (2z)-2-methylbut-2-enoate
2,14-bis(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl propanoate
methyl 2-[13-(furan-3-yl)-17-hydroxy-6,6,8,12,17-pentamethyl-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
4-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(3-methylbutanoyl)phenyl]methyl}-3,5-dihydroxy-2,4-dimethyl-6-(3-methylbutanoyl)cyclohexa-2,5-dien-1-one
(2s,3r,4s,5s,6r)-2-(5-isopropyl-4-methoxy-2-methylphenoxy)-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
C23H36O11 (488.22575059999997)
12-o-acetylphorbol-13-tigliate
{"Ingredient_id": "HBIN000923","Ingredient_name": "12-o-acetylphorbol-13-tigliate","Alias": "2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, (2E)-(; 12-O-Acetylphorbol-13-tigliate; 250268-55-4; 2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, (2E)- (","Ingredient_formula": "C27H36O8","Ingredient_Smile": "CC=C(C)C(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C)C)O)C=C(C4=O)C)O)CO","Ingredient_weight": "488.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14162","TCMID_id": "485","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6451045","DrugBank_id": "NA"}
13-(furan-3-yl)-15-isopropyl-4,6,6,12-tetramethyl-8,14,19,20-tetraoxahexacyclo[13.3.1.1³,¹⁸.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]icos-4-ene-2,3,9-triol
(1s,7s,8z,12r,13s,14r,15s)-14,15-bis(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl propanoate
methyl 2-[6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecan-16-yl]acetate
11-formyl-9,13-dihydroxy-16-isopropyl-1,19-dimethyl-8-oxo-3,5-dioxapentacyclo[12.7.0.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]henicosa-11,15-dien-7-yl acetate
methyl 2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecan-16-yl]-2-hydroxyacetate
3-{[(3z,5e,8s,9e,11z,14s,16r,17e,19e,24r)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-3-oxopropanoic acid
3-[(14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl)oxy]-3-oxopropanoic acid
2,4-dihydroxy-6-[12-(sulfooxy)heptadecyl]benzoic acid
C24H40O8S (488.24437600000005)
methyl 2-[(1r,2s,4r,6s,7s,9r,11r,12s,13r,17s)-6-(furan-3-yl)-13-(2-hydroxypropan-2-yl)-1,7,12-trimethyl-15-oxo-3,10,16-trioxapentacyclo[7.7.1.0²,⁴.0²,⁷.0¹²,¹⁷]heptadecan-11-yl]acetate
(1r,2s,7r,8z,12r,13r,14r)-2,14-bis(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl propanoate
(1s,2r,6r,10r,11s,13s,14r,15r)-14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl (2e)-2-methylbut-2-enoate
10,15,19-trihydroxy-6,14,18,18,22-pentamethyl-8-oxo-7,13-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-3,9,11-trien-5-yl acetate
n-(4-aminobutyl)-2,6-bis({[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino})hexanimidic acid
C24H32N4O7 (488.22708819999997)
(3s,6s,12s,15s)-3,12-dibenzyl-5,14-dihydroxy-1,4,10,13-tetraazatricyclo[13.3.0.0⁶,¹⁰]octadeca-4,13-diene-2,11-dione
(3r,6s,12r,15s)-3,12-dibenzyl-5,14-dihydroxy-1,4,10,13-tetraazatricyclo[13.3.0.0⁶,¹⁰]octadeca-4,13-diene-2,11-dione
ethyl 5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate
methyl 2-[(1r,3s,7r,8s,9r,12s,13s,17r)-13-(furan-3-yl)-17-hydroxy-6,6,8,12,17-pentamethyl-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1s,2r,5r,6r,10r,11s,13s,14r,16s)-6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecan-16-yl]acetate
(9s,10r,11r)-11-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl 2-methylpropanoate
4-({[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
C23H36O11 (488.22575059999997)
(1s,3r,3as,4s,8r,8ar)-1,8-bis(acetyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 4-methoxybenzoate
methyl 2-[(1s,2r)-2-[(3ar,4s,7r,7ar)-4-[(s)-furan-3-yl(hydroxy)methyl]-3a-hydroxy-4,7a-dimethyl-2-oxo-tetrahydro-1-benzofuran-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
(4e,9e)-9-(chloromethylidene)-n-[(3e)-3-methoxy-5-(2-methyl-5-oxo-2h-pyrrol-1-yl)-5-oxopent-3-en-1-yl]-6-methyltetradec-4-en-13-ynimidic acid
C27H37ClN2O4 (488.24417120000004)
20-hydroxy-18-(1h-indol-3-ylmethyl)-8,15,16-trimethyl-4,14-dioxa-19-azapentacyclo[10.8.0.0¹,¹⁷.0³,⁵.0¹³,¹⁵]icosa-10,19-diene-2,6-dione
(1s,3r,5r,8s,10e,12r,13s,15r,16s,17r)-20-hydroxy-18-(1h-indol-3-ylmethyl)-8,15,16-trimethyl-4,14-dioxa-19-azapentacyclo[10.8.0.0¹,¹⁷.0³,⁵.0¹³,¹⁵]icosa-10,19-diene-2,6-dione
16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-14-(3-methyl-5-oxooxolane-3-carbonyl)-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-ene-3,11-dione
(1s,2s,6r,10s,11r,13s,14r,15r)-14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl (2e)-2-methylbut-2-enoate
6-(acetyloxy)-3,6,9-trimethyl-3-[(2-methylbut-2-enoyl)oxy]-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate
3-{[(5e,8s,14s,16r,17e,19e,24r)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-3-oxopropanoic acid
(1s,3r,3as,4s,8s,8ar)-1,8-bis(acetyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 4-methoxybenzoate
(1s,5r,6r,14r,15s,17r,19s,22s)-10,15,19-trihydroxy-6,14,18,18,22-pentamethyl-8-oxo-7,13-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-3,9,11-trien-5-yl acetate
(1s,2s,4r,7s,9r,13s,14r,16r,17s)-4-hydroxy-2,6,14,17-tetramethyl-3,11-dioxo-14-{[(3r)-5-oxooxolan-3-yl]methyl}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-en-16-yl acetate
2-(5-isopropyl-4-methoxy-2-methylphenoxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
C23H36O11 (488.22575059999997)
6,16-dihydroxy-4,14-diphenyl-1,5,11,15-tetraazatricyclo[15.3.0.0⁷,¹¹]icosa-5,15-diene-2,12-dione
(1s,4as,7s,7as)-4-({[(2r,3r,4s,5s,6r)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
C23H36O11 (488.22575059999997)
methyl 2-[(1s,2r)-2-[(1s,4ar,5r,6r,8as)-1-(furan-3-yl)-4a,5-dihydroxy-5,8a-dimethyl-3-oxo-tetrahydro-1h-2-benzopyran-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
14-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-en-16-yl acetate
13-(furan-2-yl)-15-isopropyl-4,6,6,12-tetramethyl-8,14,19,20-tetraoxahexacyclo[13.3.1.1³,¹⁸.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]icos-4-ene-2,3,9-triol
methyl (2r)-2-[(1r,2s,5r,6r,10s,11s,13s,14r,16s)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecan-16-yl]-2-hydroxyacetate
(1r,2s,4s,7r,9s,10r,13s,14r,19r)-11-formyl-9,13-dihydroxy-16-isopropyl-1,19-dimethyl-8-oxo-3,5-dioxapentacyclo[12.7.0.0²,¹⁰.0⁴,⁹.0¹⁵,¹⁹]henicosa-11,15-dien-7-yl acetate
methyl 2-[(1r,2s)-2-[(3ar,4s,7r,7ar)-4-[(r)-furan-3-yl(hydroxy)methyl]-3a-hydroxy-4,7a-dimethyl-2-oxo-tetrahydro-1-benzofuran-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
(3s,3ar,4s,6s,6as,9as,9bs)-6-(acetyloxy)-3,6,9-trimethyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2z)-2-methylbut-2-enoate
(1'r,2r,2's,4'r,5's,6'r,8'r,11'r)-5'-[(2s,3as,6as)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-11'-yl (2e)-2-methylbut-2-enoate
9-(chloromethylidene)-n-[3-methoxy-5-(2-methyl-5-oxo-2h-pyrrol-1-yl)-5-oxopent-3-en-1-yl]-6-methyltetradec-4-en-13-ynimidic acid
C27H37ClN2O4 (488.24417120000004)
(1s,3r,5r,8s,10e,12r,13s,15r,16s,17r,18s)-20-hydroxy-18-(1h-indol-3-ylmethyl)-8,15,16-trimethyl-4,14-dioxa-19-azapentacyclo[10.8.0.0¹,¹⁷.0³,⁵.0¹³,¹⁵]icosa-10,19-diene-2,6-dione
ethyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6,8-tetraoxo-hexahydro-4ah-phenanthro[1,2-c]pyran-2-carboxylate
1-(3-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(3-methylbutanoyl)phenyl]methyl}-2,4-dihydroxy-6-methoxy-5-methylphenyl)-3-methylbutan-1-one
(4r)-4-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(3-methylbutanoyl)phenyl]methyl}-3,5-dihydroxy-2,4-dimethyl-6-(3-methylbutanoyl)cyclohexa-2,5-dien-1-one
(1s,2s,6s,7s,9r,13r,14r,16r,17s)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-14-[(3r)-3-methyl-5-oxooxolane-3-carbonyl]-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-ene-3,11-dione
2,4-dihydroxy-6-[(12s)-12-(sulfooxy)heptadecyl]benzoic acid
C24H40O8S (488.24437600000005)