Showing entry for Tanshinone Iia


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0037599
Compound NameTanshinone Iia
Structure
FormulaC19H18O3
InchiKeyHYXITZLLTYIPOF-UHFFFAOYSA-N
SMILESO=C1c2c3CCCC(c3ccc2c2c(C1=O)c(C)co2)(C)C
InchiInChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
IUPAC1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Molecular Weight294.13
Pubchem Id164676
Chembl IdCHEMBL187266
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 83922
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 BXGT004084 Apoptotic protease-activating factor 1 reviewed APAF1 - 4820 - -
reviewed BXGT004084 Apoptotic protease-activating factor 1 reviewed APAF1 - >100000 - -
reviewed BXGT011111 Caspase-9 reviewed Enzyme CASP9 - 11200 - -
reviewed BXGT006700 Aldo-keto reductase family 1 member B1 reviewed Akr1b1 - 1140 - -
reviewed BXGT013612 Histone-lysine N-methyltransferase EZH2 reviewed Epigenetic regulator EZH2 - 28100 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 1600 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a 11200 - - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 17100 - -
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 - 8690 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a - 89100 - -
reviewed BXGT005655 Papain reviewed - - 122000 - -
reviewed BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT - 5000 - -
reviewed BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT - 500 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE >100000 - - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 69 - - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 2450 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 6890 - - -
reviewed BXGT009335 Tyrosine-protein phosphatase non-receptor type 6 reviewed PTPN6 - 2140 - -
reviewed BXGT012856 Tyrosine-protein phosphatase non-receptor type 11 reviewed PTPN11 - 2590 - -
CHEMBL CHEMBL187266
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
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 15848 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 19952 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 19952 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4109 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 12589 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 16360 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Activity - - -
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Activity - - -
P06401 BXGT006436 Progesterone receptor reviewed Nuclear receptor PGR Activity - - -
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 23099 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 22387 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 17782 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a Inhibition - - -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 8912 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 3662 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 44 %
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT Inhibition '=' 50 %
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR FC '=' 10 -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
Q99685 BXGT019948 Monoglyceride lipase reviewed Enzyme MGLL Inhibition - - -
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 22387 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 22387 nM
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT IC50 '=' 500 nM
Q99685 BXGT019948 Monoglyceride lipase reviewed Enzyme MGLL IC50 '=' 48000 nM
P00784 BXGT005655 Papain reviewed - IC50 '=' 122000 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 39810 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 7079 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 5623 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 29092 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 39810 nM
Q99814 BXGT019965 Endothelial PAS domain-containing protein 1 reviewed Transcription factor EPAS1 IC50 '=' 6180 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A IC50 '=' 6180 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 25118 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 0 %
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '=' 8690 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 75 %
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 17782 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 15848 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 39810 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 5011 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 27 %
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 39810 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 12589 nM
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 22387 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 7943 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 15848 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 15848 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 10000 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '=' 6890 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 4466 nM
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT IC50 '=' 5000 nM
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT Inhibition '=' 75 %
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT Imax '=' 30 %
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 28183 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 8912 nM
Q9YQ12 BXGT022394 Protease unreviewed - protease IC50 '=' 59200 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 17782 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 5011 nM
Q99814 BXGT019965 Endothelial PAS domain-containing protein 1 reviewed Transcription factor EPAS1 IC50 '=' 7530 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A IC50 '=' 7530 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 19952 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 22387 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1299 nM
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '=' 1140 nM
Q15022 BXGT013523 Polycomb protein SUZ12 reviewed Nucleic acid binding SUZ12 IC50 '=' 28100 nM
O75530 BXGT005135 Polycomb protein EED reviewed - EED IC50 '=' 28100 nM
Q15910 BXGT013612 Histone-lysine N-methyltransferase EZH2 reviewed Epigenetic regulator EZH2 IC50 '=' 28100 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 2818 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12589 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '>' 100000 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 35481 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 89125 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 12589 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 2450 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 17782 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 17782 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR FC '=' 26 -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 5623 nM
Q15022 BXGT013523 Polycomb protein SUZ12 reviewed Nucleic acid binding SUZ12 Inhibition - - -
O75530 BXGT005135 Polycomb protein EED reviewed - EED Inhibition - - -
Q15910 BXGT013612 Histone-lysine N-methyltransferase EZH2 reviewed Epigenetic regulator EZH2 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4610 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 50118 nM
Q99685 BXGT019948 Monoglyceride lipase reviewed Enzyme MGLL Inhibition '=' 79 %
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 1062 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 1778 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 7062 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 89100 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a Ki '=' 11200 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 44668 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 10000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 39810 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 57 %
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 50118 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Inhibition '=' 80 %
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 21331 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Kd '=' 0 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 28183 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 1600 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 1584 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 22387 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 35481 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 3162 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 19952 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 89125 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 13 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 819 nM
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT Imax '>' 95 %
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 32 %
P29990 BXGT009390 Genome polyprotein reviewed - IC50 '>' 100000 nM
O14727 BXGT004084 Apoptotic protease-activating factor 1 reviewed - APAF1 IC50 '>' 100000 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 79432 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 17 %
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 69 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2909 nM
Q99685 BXGT019948 Monoglyceride lipase reviewed Enzyme MGLL Inhibition '=' 72 %
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 11220 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 14125 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 14125 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 53 %
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 14125 nM
P9WQ59 BXGT012488 Long-chain-fatty-acid--AMP ligase FadD28 reviewed - fadD28 AC50 - 88900 nM
P0C6U8 BXGT007435 Replicase polyprotein 1a reviewed - 1a IC50 '=' 17100 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 35481 nM
O14727 BXGT004084 Apoptotic protease-activating factor 1 reviewed - APAF1 IC50 '=' 4820 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 17782 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '>' 140000 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 28183 nM
Q06124 BXGT012856 Tyrosine-protein phosphatase non-receptor type 11 reviewed - PTPN11 IC50 '=' 2590 nM
P29350 BXGT009335 Tyrosine-protein phosphatase non-receptor type 6 reviewed - PTPN6 IC50 '=' 2140 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 26679 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 2238 nM
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '=' 1148 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 22387 nM
Q99685 BXGT019948 Monoglyceride lipase reviewed Enzyme MGLL Inhibition '=' 85 %
Q99685 BXGT019948 Monoglyceride lipase reviewed Enzyme MGLL Inhibition '=' 95 %
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
BXGF02030 Angelica decursiva Angelica decursiva Medicinal Plant
BXGF02830 Amaranthus hybr Amaranthus hybr Medicinal Plant
BXGF03199 Combretum indicum Combretum indicum 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
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
BXGF05260 Peucedanum praeruptorum Peucedanum praeruptorum Medicinal Plant
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