Showing entry for Resveratrol 4'-Methyl Ether


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0039750
Compound NameResveratrol 4'-Methyl Ether
Structure
FormulaC15H14O3
InchiKeyIHVRWFJGOIWMGC-NSCUHMNNSA-N
SMILESCOc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
InchiInChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+
IUPAC5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol
Molecular Weight242.09
Pubchem Id6255462
Chembl IdCHEMBL291501
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 50085541
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 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 25800 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 19600 - -
CHEMBL CHEMBL291501
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
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 1412 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2592 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 25800 nM
P37230 BXGT009971 Peroxisome proliferator-activated receptor alpha reviewed - Ppara Activity '>' 2 -
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Ki '=' 2100 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 22387 nM
O43451 BXGT004594 Maltase-glucoamylase, intestinal reviewed Enzyme MGAM Inhibition - - -
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 19952 nM
Q64669 BXGT016128 NAD(P)H dehydrogenase [quinone] 1 reviewed - Nqo1 Activity '>' 20 uM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4610 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 300 %
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 3548 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Ki '=' 160 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 19600 nM
O75762 BXGT005151 Transient receptor potential cation channel subfamily A member 1 reviewed Ion channel TRPA1 FC '=' 0 -
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 134 %
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 800 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 FC '=' 0 -
Q92731 BXGT019366 Estrogen receptor beta reviewed Nuclear receptor ESR2 FC '=' 0 -
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Ki '=' 2060 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01460 Dracaena cochinchinensis Dracaena cochinchinensis Medicinal Plant
BXGF03158 Rheum officinale Rheum officinale Medicinal Plant
BXGF03988 Rheum coreanum Rheum coreanum Others
BXGF04539 Rheum palmatum Rheum palmatum Medicinal Plant
BXGF05877 Rheum tanguticum Rheum tanguticum Medicinal Plant
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