Showing entry for Trismethoxyresveratrol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0051357
Compound NameTrismethoxyresveratrol
Structure
FormulaC17H18O3
InchiKeyGDHNBPHYVRHYCC-SNAWJCMRSA-N
SMILESCOc1ccc(cc1)/C=C/c1cc(OC)cc(c1)OC
InchiInChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
IUPAC1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
Molecular Weight270.13
Pubchem Id5388063
Chembl IdCHEMBL296411
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 23928
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 BXGT003957 Aryl hydrocarbon receptor reviewed AHR 7.7 - - -
reviewed BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 261 - - -
reviewed BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA - - - 1560000
reviewed BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 - 790 - -
reviewed BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 - 830 - -
reviewed BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 - >10000 - -
reviewed BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed Trpa1 - - - 1700
reviewed BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed Trpa1 - 3000 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 1667 - -
reviewed BXGT006400 Prostaglandin G/H synthase 1 reviewed PTGS1 - 1228 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 8000 - -
reviewed BXGT005570 Tyrosine-protein kinase ABL1 reviewed Kinase ABL1 - 10000 - -
reviewed BXGT008187 Ribosyldihydronicotinamide dehydrogenase [quinone] reviewed NQO2 - 14600 - -
CHEMBL CHEMBL296411
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
Q64669 BXGT016128 NAD(P)H dehydrogenase [quinone] 1 reviewed - Nqo1 Activity - - -
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 IC50 '=' 3000 nM
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 Efficacy '<' 10 %
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 IC50 '=' 1228 nM
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 EC50 '=' 1700 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Activity '=' 20 %
P11274 BXGT007681 Breakpoint cluster region protein reviewed Enzyme modulator BCR AC50 '=' 25000 nM
P00519 BXGT005570 Tyrosine-protein kinase ABL1 reviewed Kinase ABL1 AC50 '=' 25000 nM
P11274 BXGT007681 Breakpoint cluster region protein reviewed Enzyme modulator BCR IC50 '=' 10000 nM
P00519 BXGT005570 Tyrosine-protein kinase ABL1 reviewed Kinase ABL1 IC50 '=' 10000 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Activity - - -
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 Efficacy '=' 72 %
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 790 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 AC50 '=' 50000 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 8000 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 6200 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 IC50 '=' 830 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Activity '=' 31 %
O02747 BXGT003957 Aryl hydrocarbon receptor reviewed - AHR Ki '=' 7 nM
P16083 BXGT008187 Ribosyldihydronicotinamide dehydrogenase [quinone] reviewed - NQO2 IC50 '=' 14600 nM
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 IC50 '>' 10000 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA EC50 '=' 1560000 nM
O75762 BXGT005151 Transient receptor potential cation channel subfamily A member 1 reviewed Ion channel TRPA1 FC '=' 0 -
Q12778 BXGT013263 Forkhead box protein O1 reviewed - FOXO1 Inhibition - - -
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Ki '=' 261 nM
P01106 BXGT005730 Myc proto-oncogene protein reviewed Transcription factor MYC Inhibition - - -
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR Ki '=' 130016957 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 1667 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF06095 Rheum undulatum Rheum undulatum 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