Showing entry for Cryptotanshinone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0007035
Compound NameCryptotanshinone
Structure
FormulaC19H20O3
InchiKeyGVKKJJOMQCNPGB-UHFFFAOYSA-N
SMILESCC1COC2=C1C(=O)C(=O)C1=C2C=CC2=C1CCCC2(C)C
InchiInChI=1S/C19H20O3/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/h6-7,10H,4-5,8-9H2,1-3H3
IUPAC6,6,14-trimethyl-12-oxatetracyclo[8.7.0.02,?.011,1?]heptadeca-1(10),2(7),8,11(15)-tetraene-16,17-dione
Molecular Weight296.36
Pubchem Id496348
Chembl IdCHEMBL1518673
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 CHEMBL1518673
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
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 14125 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 28183 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 19952 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 19952 nM
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 Potency '=' 25118 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 7079 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7943 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 28183 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 35481 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 35481 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3981 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 19952 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 19952 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 28183 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 25118 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 79432 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 25118 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 19952 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 19952 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 35481 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 7079 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 15848 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 39810 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 10000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 22387 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 14125 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 12589 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 9976 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 100000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3548 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 17782 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 17782 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 17782 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 35481 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 39810 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 1581 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 15848 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00818 Herbs and Spices Herbs and Spices
BXGF01073 Veronicastrum sibiricum Veronicastrum sibiricum Medicinal Plant
BXGF01940 Salvia trijuga Salvia trijuga Medicinal Plant
BXGF02332 Salvia castanea Salvia castanea Medicinal Plant
BXGF02688 Salvia yunnanensis Salvia yunnanensis Medicinal Plant
BXGF02889 Salvia prionitis Salvia prionitis Medicinal Plant
BXGF04106 Salvia przewalskii Salvia przewalskii Medicinal Plant
BXGF04145 Salvia digitaloides Salvia digitaloides Medicinal Plant
BXGF04934 Salvia przewalskll Salvia przewalskll 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