Showing entry for Miltiorone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003817
Compound NameMiltiorone
Structure
FormulaC19H22O2
InchiKeyFEFAIBOZOKSLJR-UHFFFAOYSA-N
SMILESCC(C)C1=CC2=C(C(=O)C1=O)C1=C(C=C2)C(C)(C)CCC1
InchiInChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
IUPAC8,8-dimethyl-2-(propan-2-yl)-3,4,5,6,7,8-hexahydrophenanthrene-3,4-dione
Molecular Weight282.38
Pubchem Id160142
Chembl IdCHEMBL45830
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 n.a
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
Binding DB 50009219
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 BXGT007435 Replicase polyprotein 1a reviewed 1a 21500 - - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 30000 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 78900 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 60200 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 21100 - -
reviewed BXGT005655 Papain reviewed - - 88000 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE >100000 - - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 84 - - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 40 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 2530 - - -
CHEMBL CHEMBL45830
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
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Inhibition '=' 83 %
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a Inhibition - - -
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 - - -
P30305 BXGT009419 M-phase inducer phosphatase 2 reviewed Enzyme CDC25B IC50 - - -
P53778 BXGT011013 Mitogen-activated protein kinase 12 reviewed Kinase MAPK12 Inhibition - - -
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 Inhibition - - -
Q15759 BXGT013595 Mitogen-activated protein kinase 11 reviewed Kinase MAPK11 Inhibition - - -
O15264 BXGT004144 Mitogen-activated protein kinase 13 reviewed Kinase MAPK13 Inhibition - - -
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Inhibition - - -
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 Inhibition - - -
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '=' 2530 nM
P22300 BXGT008750 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed - GABRG2 IC50 '=' 300 nM
P10064 BXGT007533 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed - GABRA3 IC50 '=' 300 nM
P08219 BXGT006749 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed - GABRA1 IC50 '=' 300 nM
P20237 BXGT008552 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed - GABRA4 IC50 '=' 300 nM
P08220 BXGT006750 Gamma-aminobutyric acid receptor subunit beta-1 reviewed - GABRB1 IC50 '=' 300 nM
P10063 BXGT007532 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed - GABRA2 IC50 '=' 300 nM
P30304 BXGT009418 M-phase inducer phosphatase 1 reviewed Enzyme CDC25A IC50 '>' 20 ug.mL-1
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 21100 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 30000 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 78900 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a Ki '=' 21500 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 FC '=' 3 -
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '>' 100000 nM
Q9YQ12 BXGT022394 Protease unreviewed - protease IC50 '=' 147600 nM
P00784 BXGT005655 Papain reviewed - IC50 '=' 88000 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 FC '=' 2 -
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 40 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Inhibition - - -
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Inhibition '=' 22 %
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 83 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 60200 nM
P06276 BXGT006430 Cholinesterase reviewed - BCHE Inhibition '=' 6 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00818 Herbs and Spices Herbs and Spices
BXGF00880 Stauntonia obovatifoliola Stauntonia obovatifoliola Others
BXGF01390 Delphinium cyphoplectrum Delphinium cyphoplectrum Others
BXGF03199 Combretum indicum Combretum indicum Medicinal Plant
BXGF03376 Notholaena dealbata Notholaena dealbata Others
BXGF03744 Artemisia siversiana Artemisia siversiana Others
BXGF03882 Uvaria klaineana Uvaria klaineana Medicinal Plant
BXGF03927 Viburnum sieboldi Viburnum sieboldi Medicinal Plant
BXGF04075 Amentotaxus yunnanensis Amentotaxus yunnanensis Medicinal Plant
BXGF04096 Vicia sativa Vicia sativa Medicinal Plant
BXGF04106 Salvia przewalskii Salvia przewalskii Medicinal Plant
BXGF04156 Euphorbia retusa Euphorbia retusa Others
BXGF04422 Camptothecium lutescens Camptothecium lutescens Others
BXGF04603 Dioscorea communis Dioscorea communis Medicinal Plant
BXGF05228 Deguelia hatschbachii Deguelia hatschbachii Others
BXGF05526 Salvia miltiorrhiza Salvia miltiorrhiza Medicinal Plant
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