Exact Mass: 436.20970719999997
Exact Mass Matches: 436.20970719999997
Found 500 metabolites which its exact mass value is equals to given mass value 436.20970719999997
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
MLS002638824
9-Fluoro-2alpha-methylcortisol 21-acetate
Flurandrenolide
Flurandrenolide is only found in individuals that have used or taken this drug. It is a corticosteroid used topically in the treatment of various skin disorders. It is usually employed as a cream or an ointment, and is also used as a polyethylene tape with an adhesive. (From Martindale, The Extra Pharmacopoeia, 30th ed, p733)Flurandrenolide is a topical corticosteroid. It is normally applied to a plastic tape called Cordran. Cordran is primarily effective because of its anti-inflammatory, antipruritic, and vasoconstrictive actions. Flurandrenolide, which is slowly released from the Cordran tape, binds to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Specifically glucocorticoids induce lipocortin-1 (annexin-1) synthesis, which then binds to cell membranes preventing the phospholipase A2 from coming into contact with its substrate arachidonic acid. This leads to diminished eicosanoid production. Cyclooxygenase (both COX-1 and COX-2) expression is also suppressed, potentiating the effect. In another words, the two main products in inflammation Prostaglandins and Leukotrienes are inhibited by the action of Glucocorticoids. Glucocorticoids also stimulate the lipocortin-1 escaping to the extracellular space, where it binds to the leukocyte membrane receptors and inhibits various inflammatory events: epithelial adhesion, emigration, chemotaxis, phagocytosis, respiratory burst and the release of various inflammatory mediators (lysosomal enzymes, cytokines, tissue plasminogen activator, chemokines etc.) from neutrophils, macrophages and mastocytes. Additionally the immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Like other glucocorticoid agents Fluocinolone acetonide acts as a physiological antagonist to insulin by decreasing glycogenesis (formation of glycogen). It also promotes the breakdown of lipids (lipolysis), and proteins, leading to the mobilization of extrahepatic amino acids and ketone bodies. This leads to increased circulating glucose concentrations (in the blood). There is also decreased glycogen formation in the liver. 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 D000893 - Anti-Inflammatory Agents
Kanzonol I
Kanzonol I is found in herbs and spices. Kanzonol I is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol I is found in herbs and spices.
((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine
Depropionylbezitramide
APD 791
8beta-Acetoxy-3beta-angeloyloxy-5alpha-hydroperoxycostic acid methyl ester
[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] (Z)-4-acetyloxy-2-methylbut-2-enoate
15(S*)-15-hydroxy-3-oxo-14,3-oxy-3(4->18)-abeo-brevia-1,4(18),12,2,4-pentaene 1,5-lactone|15-hydroxybrevione C|brevione D
(11alpha,13S,16alpha)-13-acetoxy-11,16-dihydroxy-2-methoxypicras-2-ene-1,12-dione|picraqualide A
(12R,20S)-19-acetoxy-12,20;15,16-diepoxy-20-methoxy-neo-cleroda-3,13(16),14-trien-6beta,7alpha,18-triol
(2alpha,3beta,5beta,11alpha,14beta)-form-2,3,5,11,14-Pentahydroxy-12-oxocard-20(22)-enolide
20-Deoxy,5-benzoyl-Ingenol|3-O-benzoyl-20-deoxyingenol
15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16),14-trien-18-oic acid|rel-6-[(benzoyloxy)methyl]-5-[2-(3-furyl)ethyl]-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
(20R)-1alpha-acetoxy-6beta,7beta,14beta-trihydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one|isoadenolin H
(6aR,11aR)-3,9-dihydroxy-2,10-di(3,3-dimethylally)-8-methyl-1-methoxypterocarpan|bicolosin A
(3R,4R,6R,7S,8S,10R)-1-oxo-3-methoxy-8-angeloyloxy-10-acetoxygermacra-11(13)-en-12,6-olide|rufesolide C
20(S*)-15alpha-acetoxy-6beta,11alpha-dihydroxy-20-methoxy-6,20alpha-epoxy-6,7-seco-1alpha,7-olide-ent-kaur-16-ene|isorosthin D
3-(3-hydroxy-3-methyl-1-butenyl)-5-(3-methyl-2-butenyl)-4-O-alpha-L-arabinose-methyl-17-benzoate|liparisglycoside B
4-hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid-O-beta-D-glucopyranoside
ent-6,7:8,15-diseco-6,8-cyclokauran-7,20-olide|hikiokoshin B
17-acetoxy-1-acetyl-22-nor-ajmal-19-ene-16-carboxylic acid methyl ester|Quebrachidindiacetat
(1(10)E,4Z)-8beta-(angeloyloxy)-9alpha-ethoxy-6alpha,15-dihydroxy-13-methoxy-14-oxogermacra-1(10),4-dien-12-oic acid 12,6-lactone|(2Z)-2-methylbut-2-enoic acid (3S,3aS,4S,5S,6E,10Z,11aR)-5-ethoxy-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-(methoxyethyl)-2-oxocyclodeca[b]furan-4-yl ester
[6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate
C18H32N2O10 (436.20568520000006)
C23H32O8_Propanoic acid, 2-methyl-, [(4S)-4-(acetyloxy)-5-[4-(acetyloxy)-1-methylbutyl]-2,3,3a,4,7,7a-hexahydro-3-methylene-2-oxo-6-benzofuranyl]methyl ester
[6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based on: CCMSLIB00000845461]
C18H32N2O10 (436.20568520000006)
[6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based: Match]
C18H32N2O10 (436.20568520000006)
Flurandrenolide
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 D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 269; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8989; ORIGINAL_PRECURSOR_SCAN_NO 8984 CONFIDENCE standard compound; INTERNAL_ID 269; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9017; ORIGINAL_PRECURSOR_SCAN_NO 9016 CONFIDENCE standard compound; INTERNAL_ID 269; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8994; ORIGINAL_PRECURSOR_SCAN_NO 8990
Ala Ala Glu Phe
Ala Ala Phe Glu
Ala Glu Ala Phe
Ala Glu Phe Ala
Ala Phe Ala Glu
Ala Phe Glu Ala
Ala Pro Ser Tyr
Ala Pro Tyr Ser
Ala Ser Pro Tyr
Ala Ser Tyr Pro
Ala Tyr Pro Ser
Ala Tyr Ser Pro
Cys Ile Thr Thr
C17H32N4O7S (436.19916020000005)
Cys Leu Thr Thr
C17H32N4O7S (436.19916020000005)
Cys Thr Ile Thr
C17H32N4O7S (436.19916020000005)
Cys Thr Leu Thr
C17H32N4O7S (436.19916020000005)
Cys Thr Thr Ile
C17H32N4O7S (436.19916020000005)
Cys Thr Thr Leu
C17H32N4O7S (436.19916020000005)
Asp Phe Gly Val
Asp Phe Val Gly
Asp Gly Phe Val
Asp Gly Val Phe
Asp Val Phe Gly
Asp Val Gly Phe
Glu Ala Ala Phe
Glu Ala Phe Ala
Glu Phe Ala Ala
Phe Ala Ala Glu
Phe Ala Glu Ala
Phe Asp Gly Val
Phe Asp Val Gly
Phe Glu Ala Ala
Phe Gly Asp Val
Phe Gly Val Asp
Phe Pro Ser Ser
Phe Ser Pro Ser
Phe Ser Ser Pro
Phe Val Asp Gly
Phe Val Gly Asp
Gly Asp Phe Val
Gly Asp Val Phe
Gly Phe Asp Val
Gly Phe Val Asp
Gly Pro Thr Tyr
Gly Pro Tyr Thr
Gly Thr Pro Tyr
Gly Thr Tyr Pro
Gly Val Asp Phe
Gly Val Phe Asp
Gly Tyr Pro Thr
Gly Tyr Thr Pro
His Pro Pro Ser
His Pro Ser Pro
His Ser Pro Pro
Ile Cys Thr Thr
C17H32N4O7S (436.19916020000005)
Ile Met Ser Ser
C17H32N4O7S (436.19916020000005)
Ile Ser Met Ser
C17H32N4O7S (436.19916020000005)
Ile Ser Ser Met
C17H32N4O7S (436.19916020000005)
Ile Thr Cys Thr
C17H32N4O7S (436.19916020000005)
Ile Thr Thr Cys
C17H32N4O7S (436.19916020000005)
Leu Cys Thr Thr
C17H32N4O7S (436.19916020000005)
Leu Met Ser Ser
C17H32N4O7S (436.19916020000005)
Leu Ser Met Ser
C17H32N4O7S (436.19916020000005)
Leu Ser Ser Met
C17H32N4O7S (436.19916020000005)
Leu Thr Cys Thr
C17H32N4O7S (436.19916020000005)
Leu Thr Thr Cys
C17H32N4O7S (436.19916020000005)
Met Ile Ser Ser
C17H32N4O7S (436.19916020000005)
Met Leu Ser Ser
C17H32N4O7S (436.19916020000005)
Met Ser Ile Ser
C17H32N4O7S (436.19916020000005)
Met Ser Leu Ser
C17H32N4O7S (436.19916020000005)
Met Ser Ser Ile
C17H32N4O7S (436.19916020000005)
Met Ser Ser Leu
C17H32N4O7S (436.19916020000005)
Met Ser Thr Val
C17H32N4O7S (436.19916020000005)
Met Ser Val Thr
C17H32N4O7S (436.19916020000005)
Met Thr Ser Val
C17H32N4O7S (436.19916020000005)
Met Thr Val Ser
C17H32N4O7S (436.19916020000005)
Met Val Ser Thr
C17H32N4O7S (436.19916020000005)
Met Val Thr Ser
C17H32N4O7S (436.19916020000005)
Pro Ala Ser Tyr
Pro Ala Tyr Ser
Pro Phe Ser Ser
Pro Gly Thr Tyr
Pro Gly Tyr Thr
Pro His Pro Ser
Pro His Ser Pro
Pro Pro His Ser
Pro Pro Ser His
Pro Ser Ala Tyr
Pro Ser Phe Ser
Pro Ser His Pro
Pro Ser Pro His
Pro Ser Ser Phe
Pro Ser Tyr Ala
Pro Thr Gly Tyr
Pro Thr Tyr Gly
Pro Tyr Ala Ser
Pro Tyr Gly Thr
Pro Tyr Ser Ala
Pro Tyr Thr Gly
Ser Ala Pro Tyr
Ser Ala Tyr Pro
Ser Phe Pro Ser
Ser Phe Ser Pro
Ser His Pro Pro
Ser Ile Met Ser
C17H32N4O7S (436.19916020000005)
Ser Ile Ser Met
C17H32N4O7S (436.19916020000005)
Ser Leu Met Ser
C17H32N4O7S (436.19916020000005)
Ser Leu Ser Met
C17H32N4O7S (436.19916020000005)
Ser Met Ile Ser
C17H32N4O7S (436.19916020000005)
Ser Met Leu Ser
C17H32N4O7S (436.19916020000005)
Ser Met Ser Ile
C17H32N4O7S (436.19916020000005)
Ser Met Ser Leu
C17H32N4O7S (436.19916020000005)
Ser Met Thr Val
C17H32N4O7S (436.19916020000005)
Ser Met Val Thr
C17H32N4O7S (436.19916020000005)
Ser Pro Ala Tyr
Ser Pro Phe Ser
Ser Pro His Pro
Ser Pro Pro His
Ser Pro Ser Phe
Ser Pro Tyr Ala
Ser Ser Phe Pro
Ser Ser Ile Met
C17H32N4O7S (436.19916020000005)
Ser Ser Leu Met
C17H32N4O7S (436.19916020000005)
Ser Ser Met Ile
C17H32N4O7S (436.19916020000005)
Ser Ser Met Leu
C17H32N4O7S (436.19916020000005)
Ser Ser Pro Phe
Ser Thr Met Val
C17H32N4O7S (436.19916020000005)
Ser Thr Val Met
C17H32N4O7S (436.19916020000005)
Ser Val Met Thr
C17H32N4O7S (436.19916020000005)
Ser Val Thr Met
C17H32N4O7S (436.19916020000005)
Ser Tyr Ala Pro
Ser Tyr Pro Ala
Thr Cys Ile Thr
C17H32N4O7S (436.19916020000005)
Thr Cys Leu Thr
C17H32N4O7S (436.19916020000005)
Thr Cys Thr Ile
C17H32N4O7S (436.19916020000005)
Thr Cys Thr Leu
C17H32N4O7S (436.19916020000005)
Thr Gly Pro Tyr
Thr Gly Tyr Pro
Thr Ile Cys Thr
C17H32N4O7S (436.19916020000005)
Thr Ile Thr Cys
C17H32N4O7S (436.19916020000005)
Thr Leu Cys Thr
C17H32N4O7S (436.19916020000005)
Thr Leu Thr Cys
C17H32N4O7S (436.19916020000005)
Thr Met Ser Val
C17H32N4O7S (436.19916020000005)
Thr Met Val Ser
C17H32N4O7S (436.19916020000005)
Thr Pro Gly Tyr
Thr Pro Tyr Gly
Thr Ser Met Val
C17H32N4O7S (436.19916020000005)
Thr Ser Val Met
C17H32N4O7S (436.19916020000005)
Thr Thr Cys Ile
C17H32N4O7S (436.19916020000005)
Thr Thr Cys Leu
C17H32N4O7S (436.19916020000005)
Thr Thr Ile Cys
C17H32N4O7S (436.19916020000005)
Thr Thr Leu Cys
C17H32N4O7S (436.19916020000005)
Thr Val Met Ser
C17H32N4O7S (436.19916020000005)
Thr Val Ser Met
C17H32N4O7S (436.19916020000005)
Thr Tyr Gly Pro
Thr Tyr Pro Gly
Val Asp Phe Gly
Val Asp Gly Phe
Val Phe Asp Gly
Val Phe Gly Asp
Val Gly Asp Phe
Val Gly Phe Asp
Val Met Ser Thr
C17H32N4O7S (436.19916020000005)
Val Met Thr Ser
C17H32N4O7S (436.19916020000005)
Val Ser Met Thr
C17H32N4O7S (436.19916020000005)
Val Ser Thr Met
C17H32N4O7S (436.19916020000005)
Val Thr Met Ser
C17H32N4O7S (436.19916020000005)
Val Thr Ser Met
C17H32N4O7S (436.19916020000005)
Tyr Ala Pro Ser
Tyr Ala Ser Pro
Tyr Gly Pro Thr
Tyr Gly Thr Pro
Tyr Pro Ala Ser
Tyr Pro Gly Thr
Tyr Pro Ser Ala
Tyr Pro Thr Gly
Tyr Ser Ala Pro
Tyr Ser Pro Ala
Tyr Thr Gly Pro
Tyr Thr Pro Gly
21-dimethylarsinoyl (7Z, 10Z,13Z,16Z,19Z)-heneicosapentaenoic acid
Estropipate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents Estropipate is a form of estrogen, used to treat symptoms of menopause, also used to prevent osteoporosis.
tert-Butyl 2-((3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yl)oxy)acetate
3h-pyrazol-3-one,4,4-[[(4-methoxyphenyl)methylene]bis[(2-methyl-4,1-phenylene)azo]]bis
C27H24N4O2 (436.18991639999996)
Isoaminilecitrate
D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
N,N'-(methylenedi-4,1-phenylene)bis[N-phenyl-Urea]
C27H24N4O2 (436.18991639999996)
4-[4-[5-[(Acetylamino)methyl]-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester
TEMANOGREL
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Temanogrel is a highly selective 5-HT2A receptor antagonist with a Ki of 4.9 nM.
4-(2,3-Dihydro-2-oxo-1H-benzimidazol-1-yl)-alpha,alpha-diphenylpiperidine-1-butyronitrile
9-Fluoro-17-hydroxy-2alpha-methylcorticosterone 21-acetate
Methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate
9-Fluoro-16a,17-(isopropylidenedioxy)corticosterone
1-[4-(2-Hydroxy-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propoxy)phenyl]-1-propanone
C23H27F3N2O3 (436.19736680000005)
tert-butyl N-[4-[(3-cyanophenyl)carbamoylamino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]carbamate
[2-(4-Propylphenyl)-4-quinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
N-[3-(4-morpholinyl)propyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
[4-(3-Methoxyphenyl)-1-piperazinyl]-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]methanone
2-[[3-(2,6-dimethyl-4-morpholinyl)-2-quinoxalinyl]thio]-N-(2-phenylethyl)acetamide
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide
C25H29FN4O2 (436.22744259999996)
1-[2,5-Dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone
2-(2,5-dioxo-1-spiro[3,4-dihydro-2H-1-benzopyran-4,4-imidazolidine]yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
1-[4-(3-Chlorophenyl)-1-piperazinyl]-3-(diphenylmethyl)oxy-2-propanol
15,16-Epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)-
A natural product found in Dodonaea polyandra.
15,16-Epoxy-2alpha-benzoyloxycleroda-3,13(16),14-trien-18-oic acid, (rel)-
A natural product found in Dodonaea polyandra.
1-phenyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzimidazol-1-yl]ethanone
[6-(2-Formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate
C18H32N2O10 (436.20568520000006)
2-(2-Methylphenoxy)-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]ethanone
1-[2-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
1-[2-[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide
1-[2-[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
(6S,7R,8S)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H29FN2O3 (436.21620959999996)
(6S,7S,8R)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H29FN2O3 (436.21620959999996)
(6R,7R,8R)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H29FN2O3 (436.21620959999996)
cyclohexyl-[(2R,3R)-6-[(3-fluorophenyl)-oxomethyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
C26H29FN2O3 (436.21620959999996)
cyclohexyl-[(2S,3R)-6-[(3-fluorophenyl)-oxomethyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
C26H29FN2O3 (436.21620959999996)
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone
(6S,7S,8S)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H29FN2O3 (436.21620959999996)
(6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H29FN2O3 (436.21620959999996)
(6S,7R,8R)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H29FN2O3 (436.21620959999996)
(6R,7S,8S)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H29FN2O3 (436.21620959999996)
(6R,7S,8R)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H29FN2O3 (436.21620959999996)
cyclohexyl-[(2S,3S)-6-[(3-fluorophenyl)-oxomethyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
C26H29FN2O3 (436.21620959999996)
(1R,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
N-formyl-L-methionyl-L-leucyl-L-phenylalaninate(1-)
C21H30N3O5S- (436.19060700000006)
6-hydroxy-10,13-dimethyl-7-methylsulfonylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5-oxolane]-2,3-dione
(2E)-6-Hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one
(3S)-7-chloro-N-methyl-1-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4-piperidine]-3-carboxamide
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (Z)-tetradec-9-enoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (Z)-tridec-9-enoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (Z)-pentadec-9-enoate
21-dimethylarsinoyl-(7Z, 10Z,13Z,16Z,19Z)-heneicosapentaenoic acid
(1R)-IDH889
C23H25FN6O2 (436.20229219999993)
(1R)-IDH889 is the isomer of IDH889 (HY-112289), and can be used as an experimental control. IDH889 is an orally available, brain penetrant, allosteric and mutant specific inhibitor of isocitrate dehydrogenase 1 (IDH1). IDH889 has potent selectivity for IDH1 R132* mutations, with IC50s of 0.02 μM, 0.072 μM and 1.38 μM for IDH1R132H, IDH1R132C and IDH1wt, respectively. IDH889 shows potent cellular inhibition of R-2-hydroxyglutarate (2-HG) production with an IC50 of 0.014 μM[1].
IDH889
C23H25FN6O2 (436.20229219999993)
IDH889 is an orally available, brain penetrant, allosteric and mutant specific inhibitor of isocitrate dehydrogenase 1 (IDH1). IDH889 has potent selectivity for IDH1 R132* mutations, with IC50s of 0.02 μM, 0.072 μM and 1.38 μM for IDH1R132H, IDH1R132C and IDH1wt, respectively. IDH889 shows potent cellular inhibition of R-2-hydroxyglutarate (2-HG) production with an IC50 of 0.014 μM[1].
(1s,4r,8r,9r,11s,12r,13s,14s,16r,18r)-9,14-dihydroxy-11-methoxy-7,7-dimethyl-17-methylidene-2-oxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-18-yl acetate
5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl benzoate
(3as,4s,6r,9r,10r,11ar)-6-(acetyloxy)-9-methoxy-6,10-dimethyl-3-methylidene-2,7-dioxo-octahydrocyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
(4as,5s,6s,8as)-6-[(benzoyloxy)methyl]-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
4,5-dimethoxy-2-[3-methyl-2-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[2,3-f]chromen-4-one
(8s)-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-5-methoxy-6-(3-methylbut-2-en-1-yl)-8h,9h-furo[2,3-h]chromen-4-one
(2s,3s)-3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
2-(3,4-dihydroxyphenyl)-6-{[(1r)-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-5-hydroxy-7-methoxychromen-4-one
(3r)-5,7-dihydroxy-3-[(1s,9s,12r,14s)-5-hydroxy-9,13,13-trimethyl-8-oxatetracyclo[7.4.1.0²,⁷.0¹²,¹⁴]tetradeca-2(7),3,5-trien-4-yl]-6-methyl-2,3-dihydro-1-benzopyran-4-one
5,7-dihydroxy-3-{5-hydroxy-9,13,13-trimethyl-8-oxatetracyclo[7.4.1.0²,⁷.0¹²,¹⁴]tetradeca-2(7),3,5-trien-4-yl}-6-methyl-2,3-dihydro-1-benzopyran-4-one
2,5-dimethoxy-4-{3-methoxy-4-[(2-methylpentan-2-yl)oxy]phenyl}-[1,1'-biphenyl]-3-ol
5-[(7-hydroxy-2,6-dimethyl-5,8-dioxonaphthalen-1-yl)methyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(1s,3s,4r,5s,6s,8s,19s)-3-chloro-4-ethenyl-5-isocyano-4,9,9,20,20-pentamethyl-7-oxa-11-azahexacyclo[14.3.1.0⁵,¹⁹.0⁶,⁸.0¹⁰,¹⁸.0¹²,¹⁷]icosa-10(18),12,14,16-tetraen-19-ol
(1's,2r,2's,5'r,5''r,5'''s,6's,7's)-5'''-methoxy-7'-methyl-8'-oxotrispiro[oxirane-2,3'-[9]oxatricyclo[5.3.3.0¹,⁶]tridecane-2',2'':5'',3'''-bis(oxolane)]-5'-yl acetate
(1s,4s,4ar,6as,11as,11br)-1-hydroxy-3,4a,6',7,7',11a-hexamethyl-5,6,6a,11b-tetrahydro-1h,3'h-spiro[cyclohepta[a]naphthalene-4,2'-furo[3,2-c]pyran]-4',9-dione
8-hydroxy-3,8-dimethyl-12-methylidene-9-(2-methylpropoxy)-7,13-dioxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradecan-10-yl but-2-enoate
(2s)-5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-methyl-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(?)-(10r,10'r)-ligulacephalin a
{"Ingredient_id": "HBIN000193","Ingredient_name": "(?)-(10r,10'r)-ligulacephalin a","Alias": "NA","Ingredient_formula": "C26H28O6","Ingredient_Smile": "CC1(CCC1(C)C2=CC3=CC(=C(C=C3O2)OC)OC)C4=CC5=CC(=C(C=C5O4)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12801","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12-benzoyloxycrotohalimaneicacid
{"Ingredient_id": "HBIN000739","Ingredient_name": "12-benzoyloxycrotohalimaneicacid","Alias": "NA","Ingredient_formula": "C27H32O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2251","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15α-methoxyfaciculatin b
{"Ingredient_id": "HBIN001621","Ingredient_name": "15\u03b1-methoxyfaciculatin b","Alias": "NA","Ingredient_formula": "C23H32O8","Ingredient_Smile": "CC(=O)OC1CC2(CO2)C3(CCC4(O3)CC(OC4)OC)C56C1C(CCC5)(C(=O)OC6)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13920","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-O-Benzoyl-20-deoxyingenol
{"Ingredient_id": "HBIN009125","Ingredient_name": "3-O-Benzoyl-20-deoxyingenol","Alias": "NA","Ingredient_formula": "C27H32O5","Ingredient_Smile": "CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C5=CC=CC=C5)C)O)O)C","Ingredient_weight": "436.5 g/mol","OB_score": "12.27269666","CAS_id": "NA","SymMap_id": "SMIT04796","TCMID_id": "NA","TCMSP_id": "MOL002583","TCM_ID_id": "NA","PubChem_id": "121231388","DrugBank_id": "NA"}
5-O-Benzoyl-20-deoxyingenol
{"Ingredient_id": "HBIN011834","Ingredient_name": "5-O-Benzoyl-20-deoxyingenol","Alias": "NA","Ingredient_formula": "C27H32O5","Ingredient_Smile": "CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)OC(=O)C5=CC=CC=C5)C","Ingredient_weight": "436.5 g/mol","OB_score": "13.51543412","CAS_id": "NA","SymMap_id": "SMIT04798","TCMID_id": "NA","TCMSP_id": "MOL002585","TCM_ID_id": "NA","PubChem_id": "121231387","DrugBank_id": "NA"}