Showing entry for 7-Prenyloxycoumarin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0037591
Compound Name7-Prenyloxycoumarin
Structure
FormulaC14H14O3
InchiKeySMHJTSOVVRGDEO-UHFFFAOYSA-N
SMILESCC(=CCOc1ccc2c(c1)oc(=O)cc2)C
InchiInChI=1S/C14H14O3/c1-10(2)7-8-16-12-5-3-11-4-6-14(15)17-13(11)9-12/h3-7,9H,8H2,1-2H3
IUPAC7-(3-methylbut-2-enoxy)chromen-2-one
Molecular Weight230.09
Pubchem Id320362
Chembl IdCHEMBL156692
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 50361372
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 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 - >500000 - -
CHEMBL CHEMBL156692
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
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 Inhibition '=' 33 %
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 12589 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 28183 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 21331 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '>' 500000 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 FC '=' 1 -
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 15848 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 FC '=' 1 -
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 63095 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 20587 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency - 14125 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 100000 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Activity - - -
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 FC '=' 1 -
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR Inhibition - - -
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 1584 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 FC '=' 2 -
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 FC '=' 1 -
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 FC '=' 1 -
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 35481 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 FC '=' 1 -
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR Activity - - -
O08537 BXGT004028 Estrogen receptor beta reviewed - Esr2 Activity - - -
P48039 BXGT010607 Melatonin receptor type 1A reviewed G-protein coupled receptor MTNR1A Ki '=' 5200 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02231 Macrococculus pomiferus Macrococculus pomiferus Others
BXGF02296 Zanthoxylum spinosum Zanthoxylum spinosum Others
BXGF02852 Sophora flavescens Sophora flavescens 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