Showing entry for Rataniaphenol Ii


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0048569
Compound NameRataniaphenol Ii
Structure
FormulaC18H16O2
InchiKeyKNFUWJAIDVAYOV-ONEGZZNKSA-N
SMILESC/C=C/c1ccc2c(c1)c(C)c(o2)c1ccc(cc1)O
InchiInChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+
IUPAC4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
Molecular Weight264.12
Pubchem Id6261723
Chembl IdCHEMBL463574
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 50391884
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 BXGT004082 Prostaglandin E synthase reviewed PTGES - 11000 - -
reviewed BXGT006400 Prostaglandin G/H synthase 1 reviewed PTGS1 - 3000 - -
reviewed BXGT011858 Prostaglandin G/H synthase 2 reviewed PTGS2 - 1700 - -
reviewed BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 - >50000 - -
CHEMBL CHEMBL463574
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 '=' 3548 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 35481 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 14125 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 14125 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 31622 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 19952 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 35481 nM
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA Activity - - -
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Activity - - -
P79208 BXGT011858 Prostaglandin G/H synthase 2 reviewed - PTGS2 Inhibition '=' 57 %
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition '=' 57 %
P79208 BXGT011858 Prostaglandin G/H synthase 2 reviewed - PTGS2 IC50 '=' 1700 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
O14920 BXGT004110 Inhibitor of nuclear factor kappa-B kinase subunit beta reviewed Kinase IKBKB Inhibition - - -
O14684 BXGT004082 Prostaglandin E synthase reviewed - PTGES IC50 '=' 11000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 39810 nM
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 IC50 '>' 50000 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Activity - - -
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 IC50 '=' 3000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01610 Caiophora coronata Caiophora coronata Others
BXGF02032 Krameria lappacea Krameria lappacea Food Plant
BXGF02136 Skimmia wallichii Skimmia wallichii Others
BXGF05008 Krameria interior Krameria interior Others
BXGF05087 Alsomitra graciliflora Alsomitra graciliflora Others
BXGF05468 Baliospermum axillare Baliospermum axillare Medicinal Plant
BXGF06291 Nepeta erecta Nepeta erecta 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