Exact Mass: 436.2226
Exact Mass Matches: 436.2226
Found 500 metabolites which its exact mass value is equals to given mass value 436.2226
,
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
HC Toxin
A homodetic cyclic tetrapeptide made up from L-alanyl, D-alanyl, L-prolyl and 2-amino-8-oxo-9,10-epoxydecanoyl residues.
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.
Depropionylbezitramide
DN-isobutylamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
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
cyclo-(alanyl->alanyl->prolyl->2-amino-9,10-epoxy-8-oxo-decanoyl)|cyclo<(2-amino-9,10-epoxy-8-oxodecanoyl)-alanyl-alanyl-prolyl>|HC-Totin
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
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]
[6-(2-formamido-3-methylbutanoyl)oxy-2,3,4,5-tetrahydroxyhexyl] 2-formamido-3-methylbutanoate [IIN-based: Match]
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 Ile Tyr
Ala Ala Leu Tyr
Ala Ala Tyr Ile
Ala Ala Tyr Leu
Ala Phe Ile Ser
Ala Phe Leu Ser
Ala Phe Ser Ile
Ala Phe Ser Leu
Ala Phe Thr Val
Ala Phe Val Thr
Ala His Ile Pro
Ala His Leu Pro
Ala His Pro Ile
Ala His Pro Leu
Ala Ile Ala Tyr
Ala Ile Phe Ser
Ala Ile His Pro
Ala Ile Pro His
Ala Ile Ser Phe
Ala Ile Tyr Ala
Ala Leu Ala Tyr
Ala Leu Phe Ser
Ala Leu His Pro
Ala Leu Pro His
Ala Leu Ser Phe
Ala Leu Tyr Ala
Ala Pro His Ile
Ala Pro His Leu
Ala Pro Ile His
Ala Pro Leu His
Ala Ser Phe Ile
Ala Ser Phe Leu
Ala Ser Ile Phe
Ala Ser Leu Phe
Ala Thr Phe Val
Ala Thr Val Phe
Ala Val Phe Thr
Ala Val Thr Phe
Ala Tyr Ala Ile
Ala Tyr Ala Leu
Ala Tyr Ile Ala
Ala Tyr Leu Ala
Phe Ala Ile Ser
Phe Ala Leu Ser
Phe Ala Ser Ile
Phe Ala Ser Leu
Phe Ala Thr Val
Phe Ala Val Thr
Phe Gly Ile Thr
Phe Gly Leu Thr
Phe Gly Thr Ile
Phe Gly Thr Leu
Phe Ile Ala Ser
Phe Ile Gly Thr
Phe Ile Ser Ala
Phe Ile Thr Gly
Phe Leu Ala Ser
Phe Leu Gly Thr
Phe Leu Ser Ala
Phe Leu Thr Gly
Phe Ser Ala Ile
Phe Ser Ala Leu
Phe Ser Ile Ala
Phe Ser Leu Ala
Phe Thr Ala Val
Phe Thr Gly Ile
Phe Thr Gly Leu
Phe Thr Ile Gly
Phe Thr Leu Gly
Phe Thr Val Ala
Phe Val Ala Thr
Phe Val Thr Ala
Gly Phe Ile Thr
Gly Phe Leu Thr
Gly Phe Thr Ile
Gly Phe Thr Leu
Gly Ile Phe Thr
Gly Ile Thr Phe
Gly Leu Phe Thr
Gly Leu Thr Phe
Gly Thr Phe Ile
Gly Thr Phe Leu
Gly Thr Ile Phe
Gly Thr Leu Phe
Gly Val Val Tyr
Gly Val Tyr Val
Gly Tyr Val Val
His Ala Ile Pro
His Ala Leu Pro
His Ala Pro Ile
His Ala Pro Leu
His Ile Ala Pro
His Ile Pro Ala
His Leu Ala Pro
His Leu Pro Ala
His Pro Ala Ile
His Pro Ala Leu
His Pro Ile Ala
His Pro Leu Ala
His Pro Pro Ser
His Pro Ser Pro
His Ser Pro Pro
Ile Ala Ala Tyr
Ile Ala Phe Ser
Ile Ala His Pro
Ile Ala Pro His
Ile Ala Ser Phe
Ile Ala Tyr Ala
Ile Phe Ala Ser
Ile Phe Gly Thr
Ile Phe Ser Ala
Ile Phe Thr Gly
Ile Gly Phe Thr
Ile Gly Thr Phe
Ile His Ala Pro
Ile His Pro Ala
Ile Pro Ala His
Ile Pro His Ala
Ile Ser Ala Phe
Ile Ser Phe Ala
Ile Thr Phe Gly
Ile Thr Gly Phe
Ile Tyr Ala Ala
Leu Ala Ala Tyr
Leu Ala Phe Ser
Leu Ala His Pro
Leu Ala Pro His
Leu Ala Ser Phe
Leu Ala Tyr Ala
Leu Phe Ala Ser
Leu Phe Gly Thr
Leu Phe Ser Ala
Leu Phe Thr Gly
Leu Gly Phe Thr
Leu Gly Thr Phe
Leu His Ala Pro
Leu His Pro Ala
Leu Pro Ala His
Leu Pro His Ala
Leu Ser Ala Phe
Leu Ser Phe Ala
Leu Thr Phe Gly
Leu Thr Gly Phe
Leu Tyr Ala Ala
Pro Ala His Ile
Pro Ala His Leu
Pro Ala Ile His
Pro Ala Leu His
Pro His Ala Ile
Pro His Ala Leu
Pro His Ile Ala
Pro His Leu Ala
Pro His Pro Ser
Pro His Ser Pro
Pro Ile Ala His
Pro Ile His Ala
Pro Leu Ala His
Pro Leu His Ala
Pro Pro His Ser
Pro Pro Ser His
Pro Ser His Pro
Pro Ser Pro His
Ser Ala Phe Ile
Ser Ala Phe Leu
Ser Ala Ile Phe
Ser Ala Leu Phe
Ser Phe Ala Ile
Ser Phe Ala Leu
Ser Phe Ile Ala
Ser Phe Leu Ala
Ser His Pro Pro
Ser Ile Ala Phe
Ser Ile Phe Ala
Ser Leu Ala Phe
Ser Leu Phe Ala
Ser Pro His Pro
Ser Pro Pro His
Thr Ala Phe Val
Thr Ala Val Phe
Thr Phe Ala Val
Thr Phe Gly Ile
Thr Phe Gly Leu
Thr Phe Ile Gly
Thr Phe Leu Gly
Thr Phe Val Ala
Thr Gly Phe Ile
Thr Gly Phe Leu
Thr Gly Ile Phe
Thr Gly Leu Phe
Thr Ile Phe Gly
Thr Ile Gly Phe
Thr Leu Phe Gly
Thr Leu Gly Phe
Thr Thr Ile Cys
Thr Thr Leu Cys
Thr Val Ala Phe
Thr Val Phe Ala
Thr Val Met Ser
Thr Val Ser Met
Val Ala Phe Thr
Val Ala Thr Phe
Val Phe Ala Thr
Val Phe Thr Ala
Val Gly Val Tyr
Val Gly Tyr Val
Val Met Ser Thr
Val Thr Ala Phe
Val Thr Phe Ala
Val Val Gly Tyr
Val Val Tyr Gly
Val Tyr Gly Val
Val Tyr Val Gly
Tyr Ala Ala Ile
Tyr Ala Ala Leu
Tyr Ala Ile Ala
Tyr Ala Leu Ala
Tyr Gly Val Val
Tyr Ile Ala Ala
Tyr Leu Ala Ala
Tyr Val Gly Val
Tyr Val Val Gly
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.
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-trityl-1H-pyrazole
tert-Butyl 2-((3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yl)oxy)acetate
Isoaminilecitrate
D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-[7-[[2-(triMethylsilyl)ethoxy]Methyl]-7H-pyrrolo[2,3-d]pyriMidin-4-yl]-, (βR)-
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
9-Fluoro-16a,17-(isopropylidenedioxy)corticosterone
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamide
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
1-(1-Piperidinyl)-3-[4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenoxy]-2-propanol
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide
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
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
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
(3R,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
1-[2-[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
(3R,6aR,8R,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aR,8R,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(6S,7R,8S)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
cyclohexyl-[(2R,3R)-6-[(3-fluorophenyl)-oxomethyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
cyclohexyl-[(2S,3R)-6-[(3-fluorophenyl)-oxomethyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$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
(3R,6aR,8S,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aR,8S,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
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
(6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
cyclohexyl-[(2S,3S)-6-[(3-fluorophenyl)-oxomethyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
(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
(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-Propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octanoate
[1-Pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] hexanoate
[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] heptanoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] nonanoate
(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
3,4 Dimethyl-6-(2-methylphenyl)-6-phenyl-1,1-bis(trimethlsilyl)-1-silacyclohex-3-ene
(1R)-IDH889
(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
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
(3s,6r,9s,14ar)-1,4,7-trihydroxy-3,6-dimethyl-9-{6-[(2s)-oxiran-2-yl]-6-oxohexyl}-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one
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
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
(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
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"}