Showing entry for 3-Hydroxy-4-isopentenyl-5-methoxybibenzyl-2-carboxylic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001200
Compound Name3-Hydroxy-4-isopentenyl-5-methoxybibenzyl-2-carboxylic acid
Structure
FormulaC21H24O4
InchiKeyCTNFTPUIYFUXBE-UHFFFAOYSA-N
SMILESCOC1=CC(CCC2=CC=CC=C2)=C(C(O)=O)C(O)=C1CC=C(C)C
InchiInChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24)
IUPAC2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-(2-phenylethyl)benzoic acid
Molecular Weight340.41
Pubchem Id17950432
Chembl IdCHEMBL491820
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 YFE
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
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed PPARG Nuclear receptor 236 - - -
Binding DB 91427
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 BXGT008966 Corticotropin-releasing factor-binding protein reviewed Signaling CRHBP - - - 35200
reviewed BXGT008966 Corticotropin-releasing factor-binding protein reviewed Signaling CRHBP - 12100 - -
reviewed BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG - - - 458
reviewed BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG - - 236 -
reviewed BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD - - 27000 -
reviewed BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA - - 27000 -
CHEMBL CHEMBL491820
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
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 70794 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 20596 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 19952 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Inhibition - - -
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Activity - - -
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG EC50 '=' 458 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 63095 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 10322 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Activity '=' 39 %
P80244 BXGT011887 ATP-dependent Clp protease proteolytic subunit reviewed - clpP Potency - 25118 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG %max '=' 39 %
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Kd '=' 27000 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 19952 nM
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA Kd '=' 27000 nM
P24387 BXGT008966 Corticotropin-releasing factor-binding protein reviewed Signaling CRHBP IC50 '=' 7930 nM
Q13324 BXGT013340 Corticotropin-releasing factor receptor 2 reviewed G-protein coupled receptor CRHR2 IC50 '=' 7930 nM
P24387 BXGT008966 Corticotropin-releasing factor-binding protein reviewed Signaling CRHBP EC50 '=' 35200 nM
Q13324 BXGT013340 Corticotropin-releasing factor receptor 2 reviewed G-protein coupled receptor CRHR2 EC50 '=' 35200 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Kd '=' 236 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 10000 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 35481 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 26679 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00037 Pigeon pea Cajanus cajan Pulses
BXGF02368 Amorpha fruticosa Amorpha fruticosa 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