Showing entry for alpha-Mangostin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0007560
Compound Namealpha-Mangostin
Structure
FormulaC24H26O6
InchiKeyGNRIZKKCNOBBMO-UHFFFAOYSA-N
SMILESCOC1=C(O)C=C2OC3=C(C(O)=C(CC=C(C)C)C(O)=C3)C(=O)C2=C1CC=C(C)C
InchiInChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
IUPAC1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Molecular Weight410.46
Pubchem Id5281650
Chembl IdCHEMBL323197
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB MKS
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
P02766 BXGT005953 Transthyretin reviewed TTR Transporter - - - -
P36639 BXGT009930 7,8-dihydro-8-oxoguanine triphosphatase reviewed NUDT1 Enzyme - 470 - -
Binding DB 50214969
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT010694 Fatty acid synthase reviewed Enzyme FASN - 5540 - -
reviewed BXGT007717 Aromatase reviewed Enzyme CYP19A1 - 20700 - -
reviewed BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed IDH1 2850 - - -
reviewed BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 - >20000 - -
reviewed BXGT012754 Transcription factor p65 reviewed Transcription factor RELA - 15900 - -
reviewed BXGT004908 Sphingomyelin phosphodiesterase 2 reviewed SMPD2 - 114000 - -
reviewed BXGT007573 Sialidase reviewed nanH - 12200 - -
reviewed BXGT007573 Sialidase reviewed nanH 5800 - - -
reviewed BXGT012754 Transcription factor p65 reviewed Transcription factor RELA - >10000 - -
reviewed BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 - >50000 - -
reviewed BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 - 3100 - -
reviewed BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 - 580 - -
CHEMBL CHEMBL323197
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA IC50 '>' 10000 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 110 %
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 31622 nM
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 12589 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 2511 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Inhibition - - -
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 19952 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 IC50 '>' 20000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 39810 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 2818 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 31622 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 10000 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 15848 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 10000 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 3162 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 3162 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Ki '=' 2850 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 19952 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Inhibition '=' 12 %
Q00987 BXGT012559 E3 ubiquitin-protein ligase Mdm2 reviewed Nucleic acid binding MDM2 Inhibition - - -
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 39810 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 39810 nM
P49327 BXGT010694 Fatty acid synthase reviewed Enzyme FASN IC50 '=' 5540 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18837 nM
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Inhibition '=' 47 %
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Inhibition '=' 100 %
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Inhibition '=' 36 %
P10481 BXGT007573 Sialidase reviewed - nanH IC50 '=' 12200 nM
P10481 BXGT007573 Sialidase reviewed - nanH Ki '=' 5800 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 IC50 '>' 50000 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 22 %
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 59 %
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 2238 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 2238 nM
O14763 BXGT004093 Tumor necrosis factor receptor superfamily member 10B reviewed - TNFRSF10B FC '=' 3 -
O60906 BXGT004908 Sphingomyelin phosphodiesterase 2 reviewed - SMPD2 IC50 '=' 46 ug.mL-1
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 10000 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 IC50 '=' 5 ug.mL-1
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 IC50 '=' 580 nM
Q64725 BXGT016130 Tyrosine-protein kinase SYK reviewed - Syk Activity - - -
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 25118 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 12589 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3548 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 28183 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7943 nM
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA IC50 '=' 15900 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '=' 20700 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Inhibition - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 31622 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 25118 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 3162 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 IC50 '=' 3100 nM
Q07014 BXGT012913 Tyrosine-protein kinase Lyn reviewed - Lyn Activity - - -
Q0VD19 BXGT026117 Sphingomyelin phosphodiesterase reviewed - SMPD1 IC50 '=' 14100 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 5011 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 1995 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 1995 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 11885 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 25118 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 10000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 31622 nM
Q2M2H8 BXGT026100 Probable maltase-glucoamylase 2 reviewed Enzyme MGAM2 Inhibition - - -
P14410 BXGT008009 Sucrase-isomaltase, intestinal reviewed Enzyme SI Inhibition - - -
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Inhibition - - -
O43451 BXGT004594 Maltase-glucoamylase, intestinal reviewed Enzyme MGAM Inhibition - - -
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 150 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 28183 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 5500 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 IC50 '=' 24740 nM
Q2M2H8 BXGT026100 Probable maltase-glucoamylase 2 reviewed Enzyme MGAM2 Ki '=' 7300 nM
P14410 BXGT008009 Sucrase-isomaltase, intestinal reviewed Enzyme SI Ki '=' 7300 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Ki '=' 7300 nM
O43451 BXGT004594 Maltase-glucoamylase, intestinal reviewed Enzyme MGAM Ki '=' 7300 nM
Q2M2H8 BXGT026100 Probable maltase-glucoamylase 2 reviewed Enzyme MGAM2 IC50 '=' 5700 nM
P14410 BXGT008009 Sucrase-isomaltase, intestinal reviewed Enzyme SI IC50 '=' 5700 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA IC50 '=' 5700 nM
O43451 BXGT004594 Maltase-glucoamylase, intestinal reviewed Enzyme MGAM IC50 '=' 5700 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Ki '=' 3200 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00106 Mango Mangifera indica Fruits
BXGF00373 Purple mangosteen Garcinia mangostana Fruits
BXGF00823 Fruits Fruits
BXGF00848 Mundu Garcinia dulcis Fruits
BXGF00864 Nicotiana sylvestris Nicotiana sylvestris Others
BXGF00927 Dolomiaea souliei Dolomiaea souliei Others
BXGF01007 Eucalyptus camaldulensis Eucalyptus camaldulensis Medicinal Plant
BXGF01259 Illicium difengpi Illicium difengpi Medicinal Plant
BXGF03915 Cratoxylum cochinchinense Cratoxylum cochinchinense Medicinal Plant
BXGF03981 Senecio vellereus Senecio vellereus Others
BXGF04031 Garcinia cowa Garcinia cowa Medicinal Plant
BXGF04519 Serpocaulon triseriale Serpocaulon triseriale Others
BXGF05090 Lonicera hypoleuca Lonicera hypoleuca Human Edible Plant
BXGF05157 Garcinia morella Garcinia morella Medicinal Plant
BXGF05213 Halimodendron halodendron Halimodendron halodendron Others
BXGF05933 Pentadesma butyracea Pentadesma butyracea Human Edible Plant
BXGF06008 Aster bellidiastrum Aster bellidiastrum Others
BXGF06276 Wibelia divaricata Wibelia divaricata Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease