Showing entry for Dihydrotanshinone I


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0053767
Compound NameDihydrotanshinone I
Structure
FormulaC18H14O3
InchiKeyHARGZZNYNSYSGJ-JTQLQIEISA-N
SMILESC[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1cccc2C
InchiInChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
IUPAC(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione
Molecular Weight278.09
Pubchem Id11425923
Chembl IdCHEMBL227075
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 1YL
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
P22303 BXGT008751 Acetylcholinesterase reviewed ACHE Enzyme 700 - - -
Binding DB 50423877
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 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE 750 - - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 14400 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a 11200 - - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 1200 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 10700 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 4900 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE >100000 - - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE 1950 - - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 1830 - - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 118 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 398 - - -
CHEMBL CHEMBL227075
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
Q15717 BXGT013589 ELAV-like protein 1 reviewed - ELAVL1 IC50 '=' 68 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 10000 nM
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 - - -
P00784 BXGT005655 Papain reviewed - Inhibition - - -
Q9YQ12 BXGT022394 Protease unreviewed - protease IC50 '=' 50600 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a Inhibition - - -
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 7062 nM
Q99814 BXGT019965 Endothelial PAS domain-containing protein 1 reviewed Transcription factor EPAS1 IC50 '=' 2290 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A IC50 '=' 2290 nM
Q99814 BXGT019965 Endothelial PAS domain-containing protein 1 reviewed Transcription factor EPAS1 IC50 '=' 2050 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A IC50 '=' 2050 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -3 %
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '=' 1202 nM
Q06124 BXGT012856 Tyrosine-protein phosphatase non-receptor type 11 reviewed - PTPN11 IC50 '=' 3940 nM
Q15717 BXGT013589 ELAV-like protein 1 reviewed - ELAVL1 Activity - - -
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 33587 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 19952 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Inhibition '=' 80 %
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 4900 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 1000 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 1200 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 14400 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 17782 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 17782 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 129 %
Q15717 BXGT013589 ELAV-like protein 1 reviewed - ELAVL1 Ki '=' 50 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Inhibition - - -
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 Inhibition - - -
P29350 BXGT009335 Tyrosine-protein phosphatase non-receptor type 6 reviewed - PTPN6 IC50 '=' 3670 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '>' 100000 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 3 %
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 1830 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '=' 398 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 111 %
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 118 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 10700 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '=' 1950 nM
Q15717 BXGT013589 ELAV-like protein 1 reviewed - ELAVL1 IC50 '=' 149 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a Ki '=' 11200 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '=' 600 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00880 Stauntonia obovatifoliola Stauntonia obovatifoliola Others
BXGF01040 Euphorbia sancta Euphorbia sancta Others
BXGF01156 Senecio madagascariensis Senecio madagascariensis Human Edible Plant
BXGF01243 Asphodeline tenuior Asphodeline tenuior Others
BXGF01277 Glycyrrhiza triphylla Glycyrrhiza triphylla Others
BXGF01390 Delphinium cyphoplectrum Delphinium cyphoplectrum Others
BXGF01481 Glycine falcata Glycine falcata Others
BXGF01553 Iris hoogiana Iris hoogiana Others
BXGF01801 Bothriocline longipes Bothriocline longipes Medicinal Plant
BXGF01940 Salvia trijuga Salvia trijuga Medicinal Plant
BXGF02332 Salvia castanea Salvia castanea Medicinal Plant
BXGF02688 Salvia yunnanensis Salvia yunnanensis Medicinal Plant
BXGF02830 Amaranthus hybr Amaranthus hybr Medicinal Plant
BXGF02889 Salvia prionitis Salvia prionitis Medicinal Plant
BXGF03376 Notholaena dealbata Notholaena dealbata Others
BXGF03539 Picradeniopsis pringlei Picradeniopsis pringlei 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
BXGF04145 Salvia digitaloides Salvia digitaloides Medicinal Plant
BXGF04156 Euphorbia retusa Euphorbia retusa Others
BXGF04422 Camptothecium lutescens Camptothecium lutescens Others
BXGF04578 Metzgeria pubescens Metzgeria pubescens Others
BXGF04603 Dioscorea communis Dioscorea communis Medicinal Plant
BXGF05228 Deguelia hatschbachii Deguelia hatschbachii Others
BXGF05526 Salvia miltiorrhiza Salvia miltiorrhiza Medicinal Plant
BXGF05621 Agathosma thymifolia Agathosma thymifolia 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