Exact Mass: 436.1919492
Exact Mass Matches: 436.1919492
Found 500 metabolites which its exact mass value is equals to given mass value 436.1919492
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Artocarpin
Isolated from Artocarpus heterophyllus (jackfruit). Artocarpin is found in breadfruit, jackfruit, and fruits. Artocarpin is found in breadfruit. Artocarpin is isolated from Artocarpus heterophyllus (jackfruit D007155 - Immunologic Factors > D000373 - Agglutinins > D037121 - Plant Lectins D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins
Kanzonol K
Kanzonol K is found in herbs and spices. Kanzonol K is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol K is found in herbs and spices.
2'-O-Methylcajanone
2-O-Methylcajanone is found in pigeon pea. 2-O-Methylcajanone is isolated from root bark of Cajanus cajan (pigeon pea). Isolated from root bark of Cajanus cajan (pigeon pea). 2-O-Methylcajanone is found in pigeon pea and pulses.
((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine
Fleminone
Derrisisoflavone C
Desmodianone E
3,4-Dihydroxy-5-methoxy-8-prenyl-6,6-dimethylpyrano[2,3:7,6]flavanone
Desmodianone D
3-Methoxylupinifolin
3-O-Methyllupinifolinol
Chapelieric acid methyl ester
2-O-Methylcajanone
(2S)-5,2-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,2-dimethylpyrano[5,6:5,4]flavanone|maackiaflavanone A
3-O-methyl-6-[(E)-3,8-dimethylocta-2,7-dienyl]kaempferol|3-O-methylmacarangin
4-methyl-2,4-bis(5,6-dimethoxy-2-benzofuranyl)-1-pentene
(7S)-3-(2-hydroxy-6-methylphenyl)-7,8-dihydro-7-methyl-6,8-dioxo-6H-2-benzopyran-7-yl (2E)-2-methyl-2-octenoate|cohaerin A
(2S)-6-(gamma,gamma-dimethylallyl)-5,3-dihydroxy-4-methoxy-6,6-dimethylpyran<2,3:7,8>flavanone
5,4-dihydroxy-3-methoxy-6-(gamma,gamma-dimethylallyl)-6,6-dimethylpyrano(2,3:7,8)flavanone
(+)-5,4-dihydroxy-2-methoxy-8-(3,3-dimethylallyl)-2,2-dimethylpyrano[5,6:6,7]isoflavone|5,4-Dihydroxy-2-methoxy-8-(3,3-dimethylallyl)-2,2-dimethylpyrano[5,6:6,7]isoflavanone
5-Hydroxy-3-(3-hydroxy-4-methoxy-5-prenylphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b]dipyran-4(3H)-one
1,11:14,15-Diepoxy-6-hydroxymeliaca-5,9,10,22-tetraene-3,7-dione-(1alpha,14beta,15beta)-form
2-(2,6-Dihydroxyphenyl)-7,7-dimethyl-9-(3-methyl-2-butenyl)-10-methoxy-2H,7H-1,8-dioxaanthracene-4(3H)-one
2-(1-Hydroxy-1-methylethyl)-4-hydroxy-6-(4-methoxyphenyl)-9-prenyl-2,3-dihydro-5H-furo[3,2-g][1]benzopyran-5-one
2-hydroxy-8,9-methylenedioxy-2,2-dimethyl-3,4-dihydropyrano-[5,6:4,3]-6a-prenyl-[6aS,11aS]-pterocarpan|spirotropin B
17-acetoxy-1-acetyl-22-nor-ajmal-19-ene-16-carboxylic acid methyl ester|Quebrachidindiacetat
3-(4-Methoxyphenyl)-5-hydroxy-6-prenyl-8-(1-hydroxy-1-methylethyl)-8,9-dihydro-4H-furo[2,3-h][1]benzopyran-4-one
5-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-6-(4-methyl-pentanoyl)-4-phenyl-8,9-dihydro-furo[2,3-h]chromen-2-one
5-hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
5-hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one [IIN-based on: CCMSLIB00000846956]
5-hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one [IIN-based: Match]
Ala Ala Glu Phe
Ala Ala Phe Glu
Ala Cys Ile Met
C17H32N4O5S2 (436.18140220000004)
Ala Cys Leu Met
C17H32N4O5S2 (436.18140220000004)
Ala Cys Met Ile
C17H32N4O5S2 (436.18140220000004)
Ala Cys Met Leu
C17H32N4O5S2 (436.18140220000004)
Ala Glu Ala Phe
Ala Glu Phe Ala
Ala Phe Ala Glu
Ala Phe Glu Ala
Ala Ile Cys Met
C17H32N4O5S2 (436.18140220000004)
Ala Ile Met Cys
C17H32N4O5S2 (436.18140220000004)
Ala Leu Cys Met
C17H32N4O5S2 (436.18140220000004)
Ala Leu Met Cys
C17H32N4O5S2 (436.18140220000004)
Ala Met Cys Ile
C17H32N4O5S2 (436.18140220000004)
Ala Met Cys Leu
C17H32N4O5S2 (436.18140220000004)
Ala Met Ile Cys
C17H32N4O5S2 (436.18140220000004)
Ala Met Leu Cys
C17H32N4O5S2 (436.18140220000004)
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 Ala Ile Met
C17H32N4O5S2 (436.18140220000004)
Cys Ala Leu Met
C17H32N4O5S2 (436.18140220000004)
Cys Ala Met Ile
C17H32N4O5S2 (436.18140220000004)
Cys Ala Met Leu
C17H32N4O5S2 (436.18140220000004)
Cys Cys Ile Val
C17H32N4O5S2 (436.18140220000004)
Cys Cys Leu Val
C17H32N4O5S2 (436.18140220000004)
Cys Cys Val Ile
C17H32N4O5S2 (436.18140220000004)
Cys Cys Val Leu
C17H32N4O5S2 (436.18140220000004)
Cys Ile Ala Met
C17H32N4O5S2 (436.18140220000004)
Cys Ile Cys Val
C17H32N4O5S2 (436.18140220000004)
Cys Ile Met Ala
C17H32N4O5S2 (436.18140220000004)
Cys Ile Thr Thr
C17H32N4O7S (436.19916020000005)
Cys Ile Val Cys
C17H32N4O5S2 (436.18140220000004)
Cys Leu Ala Met
C17H32N4O5S2 (436.18140220000004)
Cys Leu Cys Val
C17H32N4O5S2 (436.18140220000004)
Cys Leu Met Ala
C17H32N4O5S2 (436.18140220000004)
Cys Leu Thr Thr
C17H32N4O7S (436.19916020000005)
Cys Leu Val Cys
C17H32N4O5S2 (436.18140220000004)
Cys Met Ala Ile
C17H32N4O5S2 (436.18140220000004)
Cys Met Ala Leu
C17H32N4O5S2 (436.18140220000004)
Cys Met Ile Ala
C17H32N4O5S2 (436.18140220000004)
Cys Met Leu Ala
C17H32N4O5S2 (436.18140220000004)
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)
Cys Val Cys Ile
C17H32N4O5S2 (436.18140220000004)
Cys Val Cys Leu
C17H32N4O5S2 (436.18140220000004)
Cys Val Ile Cys
C17H32N4O5S2 (436.18140220000004)
Cys Val Leu Cys
C17H32N4O5S2 (436.18140220000004)
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 His His Ser
Gly His Ser His
Gly Met Met Val
C17H32N4O5S2 (436.18140220000004)
Gly Met Val Met
C17H32N4O5S2 (436.18140220000004)
Gly Pro Thr Tyr
Gly Pro Tyr Thr
Gly Ser His His
Gly Thr Pro Tyr
Gly Thr Tyr Pro
Gly Val Asp Phe
Gly Val Phe Asp
Gly Val Met Met
C17H32N4O5S2 (436.18140220000004)
Gly Tyr Pro Thr
Gly Tyr Thr Pro
His Gly His Ser
His Gly Ser His
His His Gly Ser
His His Ser Gly
His Ser Gly His
His Ser His Gly
Ile Ala Cys Met
C17H32N4O5S2 (436.18140220000004)
Ile Ala Met Cys
C17H32N4O5S2 (436.18140220000004)
Ile Cys Ala Met
C17H32N4O5S2 (436.18140220000004)
Ile Cys Cys Val
C17H32N4O5S2 (436.18140220000004)
Ile Cys Met Ala
C17H32N4O5S2 (436.18140220000004)
Ile Cys Thr Thr
C17H32N4O7S (436.19916020000005)
Ile Cys Val Cys
C17H32N4O5S2 (436.18140220000004)
Ile Met Ala Cys
C17H32N4O5S2 (436.18140220000004)
Ile Met Cys Ala
C17H32N4O5S2 (436.18140220000004)
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)
Ile Val Cys Cys
C17H32N4O5S2 (436.18140220000004)
Leu Ala Cys Met
C17H32N4O5S2 (436.18140220000004)
Leu Ala Met Cys
C17H32N4O5S2 (436.18140220000004)
Leu Cys Ala Met
C17H32N4O5S2 (436.18140220000004)
Leu Cys Cys Val
C17H32N4O5S2 (436.18140220000004)
Leu Cys Met Ala
C17H32N4O5S2 (436.18140220000004)
Leu Cys Thr Thr
C17H32N4O7S (436.19916020000005)
Leu Cys Val Cys
C17H32N4O5S2 (436.18140220000004)
Leu Met Ala Cys
C17H32N4O5S2 (436.18140220000004)
Leu Met Cys Ala
C17H32N4O5S2 (436.18140220000004)
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)
Leu Val Cys Cys
C17H32N4O5S2 (436.18140220000004)
Met Ala Cys Ile
C17H32N4O5S2 (436.18140220000004)
Met Ala Cys Leu
C17H32N4O5S2 (436.18140220000004)
Met Ala Ile Cys
C17H32N4O5S2 (436.18140220000004)
Met Ala Leu Cys
C17H32N4O5S2 (436.18140220000004)
Met Cys Ala Ile
C17H32N4O5S2 (436.18140220000004)
Met Cys Ala Leu
C17H32N4O5S2 (436.18140220000004)
Met Cys Ile Ala
C17H32N4O5S2 (436.18140220000004)
Met Cys Leu Ala
C17H32N4O5S2 (436.18140220000004)
Met Gly Met Val
C17H32N4O5S2 (436.18140220000004)
Met Gly Val Met
C17H32N4O5S2 (436.18140220000004)
Met Ile Ala Cys
C17H32N4O5S2 (436.18140220000004)
Met Ile Cys Ala
C17H32N4O5S2 (436.18140220000004)
Met Ile Ser Ser
C17H32N4O7S (436.19916020000005)
Met Leu Ala Cys
C17H32N4O5S2 (436.18140220000004)
Met Leu Cys Ala
C17H32N4O5S2 (436.18140220000004)
Met Leu Ser Ser
C17H32N4O7S (436.19916020000005)
Met Met Gly Val
C17H32N4O5S2 (436.18140220000004)
Met Met Val Gly
C17H32N4O5S2 (436.18140220000004)
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 Gly Met
C17H32N4O5S2 (436.18140220000004)
Met Val Met Gly
C17H32N4O5S2 (436.18140220000004)
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 Ser Ala Tyr
Pro Ser Phe Ser
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 Gly His His
Ser His Gly His
Ser His His Gly
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 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 Glu Ser
C16H28N4O10 (436.18053480000003)
Thr Thr Ile Cys
C17H32N4O7S (436.19916020000005)
Thr Thr Leu Cys
C17H32N4O7S (436.19916020000005)
Thr Thr Ser Glu
C16H28N4O10 (436.18053480000003)
Thr Thr Thr Asp
C16H28N4O10 (436.18053480000003)
Thr Val Met Ser
C17H32N4O7S (436.19916020000005)
Thr Val Ser Met
C17H32N4O7S (436.19916020000005)
Thr Tyr Gly Pro
Thr Tyr Pro Gly
Val Cys Cys Ile
C17H32N4O5S2 (436.18140220000004)
Val Cys Cys Leu
C17H32N4O5S2 (436.18140220000004)
Val Cys Ile Cys
C17H32N4O5S2 (436.18140220000004)
Val Cys Leu Cys
C17H32N4O5S2 (436.18140220000004)
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 Gly Met Met
C17H32N4O5S2 (436.18140220000004)
Val Ile Cys Cys
C17H32N4O5S2 (436.18140220000004)
Val Leu Cys Cys
C17H32N4O5S2 (436.18140220000004)
Val Met Gly Met
C17H32N4O5S2 (436.18140220000004)
Val Met Met Gly
C17H32N4O5S2 (436.18140220000004)
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
Artocarpin
A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 2, and 4, a methoxy group at position 7, a prenyl group at position 3 and a (1E)-3-methylbut-1-enyl group at position 6. Isolated from Artocarpus heterophyllus and Artocarpus integrifolia, it exhibits antineoplastic activity. D007155 - Immunologic Factors > D000373 - Agglutinins > D037121 - Plant Lectins D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins
Kanzonol K
21-dimethylarsinoyl (7Z, 10Z,13Z,16Z,19Z)-heneicosapentaenoic acid
1-((3AS,6R,7AR)-8,8-DIMETHYL-2,2-DIOXIDOHEXAHYDRO-1H-3A,6-METHANOBENZO[C]ISOTHIAZOL-1-YL)-2-((DIPHENYLMETHYLENE)AMINO)ETHANONE
C25H28N2O3S (436.18205380000006)
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)
Vildagliptin carboxylic acid metabolite (trifluoroacetate salt)
N,N'-(methylenedi-4,1-phenylene)bis[N-phenyl-Urea]
C27H24N4O2 (436.18991639999996)
3-(2-(Diethylamino)ethyl)-5-phenylisoxazole citrate
Methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate
Maackiaflavanone A
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 2, a methoxy group at position 7, a prenyl group at position 8 and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 4 and 5. Isolated from the stem barks of Maackia amurensis, it exhibits cytotoxicity against human cancer cell lines.
(2S)-6-(gamma,gamma-dimethylallyl)-5,4-dihydroxy-3-methoxy-6,6-dimethylpyran[2,3:7,8]flavanone
An extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 5 and 4, a methoxy group at position 3 , a prenyl group at position 6 and a gem-dimethylpyran ring fused across positions 7 and 8. Isolated from Lonchocarpus utilis and Lonchocarpus urucu, it acts as a NADH:ubiquinone reductase inhibitor.
(2S)-6-(gamma,gamma-dimethylallyl)-5,3-dihydroxy-4-methoxy-6,6-dimethylpyran[2,3:7,8]flavanone
An extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 5 and 3, a methoxy group at position 4 , a prenyl group at position 6 and a gem-dimethylpyran ring fused across positions 7 and 8. Isolated from Lonchocarpus utilis and Lonchocarpus urucu, it acts as a NADH:ubiquinone reductase inhibitor.
1-[4-(2-Hydroxy-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propoxy)phenyl]-1-propanone
C23H27F3N2O3 (436.19736680000005)
[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-[2,5-Dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone
1-[4-(3-Chlorophenyl)-1-piperazinyl]-3-(diphenylmethyl)oxy-2-propanol
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
1-[2-[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]ethynyl]-1-cyclopentanol
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
(2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H29FN2O4S (436.18319660000003)
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
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
5-Hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
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].
3-(3-hydroxy-4-methoxyphenyl)-6,6,10,10-tetramethyl-7,8,11,12-tetrahydro-1,5,9-trioxatriphenylen-4-one
2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-4-methylpent-2-en-2-yl]-5,6-dimethoxy-1-benzofuran
(1r,13r)-3-methoxy-7,7-dimethyl-10-(3-methylbut-2-en-1-yl)-8,12,20-trioxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-2(11),3,5,9,14,16,18-heptaene-1,15-diol
(5as,9ar)-2-(3,4-dihydroxyphenyl)-11-methoxy-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6h-1,5-dioxatetraphen-4-one
2,5-dimethoxy-4-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-[1,1'-biphenyl]-3,4'-diol
methyl (3r)-3-[(7s,8r)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7h,8h-pyrano[3,2-g]chromen-10-yl]-3-phenylpropanoate
3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
7-hydroxy-8-(2-hydroxy-3-methylbut-3-en-1-yl)-3-(4-hydroxyphenyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)chromen-4-one
(2r,3s)-5-hydroxy-2-(2-hydroxyphenyl)-3-methoxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
(2r,3r)-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-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]chromen-4-one
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
(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
(?)-(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"}
(?)-(10s,10's)-ligulacephalin a
{"Ingredient_id": "HBIN000198","Ingredient_name": "(?)-(10s,10's)-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": "12800","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,4'-dihydroxy-2'-methoxy-8-(3,3-di-methyl-allyl)-2'',2''-dimethylpyrano[5,6:6,7] iso-flavanone
{"Ingredient_id": "HBIN011040","Ingredient_name": "5,4'-dihydroxy-2'-methoxy-8-(3,3-di-methyl-allyl)-2'',2''-dimethylpyrano[5,6:6,7] iso-flavanone","Alias": "NA","Ingredient_formula": "C26H28O6","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5970","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}