Showing entry for Tanshinone Iia Sulfonate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0031291
Compound NameTanshinone Iia Sulfonate
Structure
FormulaC19H18O6S.Na
InchiKeyAZEZEAABTDXEHR-UHFFFAOYSA-M
SMILESO=C1c2c(ccc3c2CCCC3(C)C)c2c(C1=O)c(C)c(o2)S(=O)(=O)[O-].[Na+]
InchiInChI=1S/C19H18O6S.Na/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24;/h6-7H,4-5,8H2,1-3H3,(H,22,23,24);/q;+1/p-1
IUPACsodium;1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-2-sulfonate
Molecular Weight373.07
Pubchem Id23669322
Chembl IdCHEMBL1473252
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 n.a
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
CHEMBL CHEMBL1473252
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
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 31622 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 10000 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 14125 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 14125 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 89125 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 28790 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 10000 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency '=' 31622 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Inhibition '=' 14 %
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 15848 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 15848 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 35481 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 28183 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 3900 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '>' 100000 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 10000 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '>' 100000 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 8912 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
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