Showing entry for Benzyl (E)-P-Coumarate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0027112
Compound NameBenzyl (E)-P-Coumarate
Structure
FormulaC16H14O3
InchiKeyRGZZCZQQPNJCPO-DHZHZOJOSA-N
SMILESO=C(OCc1ccccc1)/C=C/c1ccc(cc1)O
InchiInChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
IUPACbenzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Weight254.09
Pubchem Id10083644
Chembl IdCHEMBL1095574
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 50362850
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 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 - 130 - -
reviewed BXGT022229 Carbonic anhydrase 5B, mitochondrial reviewed CA5B 800 - - -
reviewed BXGT008844 Carbonic anhydrase 6 reviewed CA6 730 - - -
reviewed BXGT010364 Carbonic anhydrase 7 reviewed CA7 720 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 860 - - -
reviewed BXGT004601 Carbonic anhydrase 12 reviewed CA12 29400 - - -
reviewed BXGT020260 Carbonic anhydrase 13 reviewed Ca13 8920 - - -
reviewed BXGT021769 Carbonic anhydrase 14 reviewed CA14 810 - - -
reviewed BXGT006627 Carbonic anhydrase 3 reviewed CA3 >50000 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 >50000 - - -
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 >50000 - - -
reviewed BXGT008802 Carbonic anhydrase 4 reviewed CA4 18700 - - -
reviewed BXGT009796 Carbonic anhydrase 5A, mitochondrial reviewed CA5A 970 - - -
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 - 2200 - -
CHEMBL CHEMBL1095574
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
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '=' 2200 nM
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 29400 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 IC50 '=' 130 nM
P22748 BXGT008802 Carbonic anhydrase 4 reviewed - CA4 Ki '=' 18700 nM
P07451 BXGT006627 Carbonic anhydrase 3 reviewed - CA3 Ki '>' 50000 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 50000 nM
P23280 BXGT008844 Carbonic anhydrase 6 reviewed - CA6 Ki '=' 730 nM
Q9Y2D0 BXGT022229 Carbonic anhydrase 5B, mitochondrial reviewed - CA5B Ki '=' 800 nM
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 860 nM
Q9D6N1 BXGT020260 Carbonic anhydrase 13 reviewed - Ca13 Ki '=' 8920 nM
P43166 BXGT010364 Carbonic anhydrase 7 reviewed - CA7 Ki '=' 720 nM
Q9ULX7 BXGT021769 Carbonic anhydrase 14 reviewed - CA14 Ki '=' 810 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '>' 50000 nM
P35218 BXGT009796 Carbonic anhydrase 5A, mitochondrial reviewed - CA5A Ki '=' 970 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01104 Garcinia cambogia Garcinia cambogia Medicinal Plant
BXGF01252 Petasites laevigatus Petasites laevigatus Medicinal Plant
BXGF01404 Sphaeranthus confertifolius Sphaeranthus confertifolius Others
BXGF01556 Ornithoglossum viride Ornithoglossum viride Others
BXGF01606 Schizanthus tricolor Schizanthus tricolor Others
BXGF01631 Anodendron affine Anodendron affine Medicinal Plant
BXGF01669 Hertia cheirifolia Hertia cheirifolia Others
BXGF01720 Cedrela salvadorensis Cedrela salvadorensis Others
BXGF05436 Rubia tetragona Rubia tetragona Others
BXGF05858 Ormosia hosiei Ormosia hosiei Medicinal Plant
BXGF06250 Licaria chrysophylla Licaria chrysophylla 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