acompound

Showing entry for p-Coumaric acid ethyl ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000077
Compound Name	p-Coumaric acid ethyl ester
Structure
Formula	C11H12O3
InchiKey	ZOQCEVXVQCPESC-VMPITWQZSA-N
SMILES	[H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OCC
Inchi	InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
IUPAC	ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Weight	192.21
Pubchem Id	676946
Chembl Id	CHEMBL2074640

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

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	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	850	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	710	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	320	-	-	-
reviewed	BXGT021769	Carbonic anhydrase 14	reviewed		CA14	800	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	490	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	610	-	-	-

CHEMBL

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
O60669	BXGT004891	Monocarboxylate transporter 2	reviewed	Transporter	SLC16A7	Activity	'='	65	%
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	610	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	850	nM
Q9ULX7	BXGT021769	Carbonic anhydrase 14	reviewed	-	CA14	Ki	'='	800	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	490	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	710	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	320	nM
P53987	BXGT011023	Monocarboxylate transporter 1	reviewed	-	Slc16a1	Activity	'='	0	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00585	Vinegar		Baking goods
BXGF01812	Physalis alkekengi	Physalis alkekengi	Medicinal Plant
BXGF02182	Atractylodes lancea	Atractylodes lancea	Medicinal Plant
BXGF03162	Atractylodes macrocephala	Atractylodes macrocephala	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}