Coumaric Acid

Representations & DB's id
ChEBI:	CHEBI:32374
ChEMBL:	CHEMBL66879
PubChem:	637542
IUPAC:	(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Standard InChI:	InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
Standard InChI Key:	NGSWKAQJJWESNS-ZZXKWVIFSA-N
SMILES:	OC(=O)/C=C/c1ccc(cc1)O

Molecular propeties
AlogP:	1.49
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	2
Rotatable bonds:	2
Number of rings:	1
Molecular Weight:	164.05
Topological polar surface area:	57.5
Number of aromatic rings:	1
Fsp3:	0
Number of carbons:	9

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Others	4 %	Tyrosinase	P14679
IC50	162.31 ug/ml	Aldose reductase	P15121
Ki	6680 nM	Carbonic anhydrase XIV	Q9ULX7
Ki	8010 nM	Carbonic anhydrase XII	O43570
Ki	5330 nM	Carbonic anhydrase IX	Q16790
Ki	5230 nM	Carbonic anhydrase VII	P43166
Ki	6720 nM	Carbonic anhydrase VI	P23280
Ki	7760 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	5960 nM	Carbonic anhydrase VA	P35218
Ki	9600 nM	Carbonic anhydrase IV	P22748
Ki	7570 nM	Carbonic anhydrase III	P07451
Ki	980 nM	Carbonic anhydrase II	P00918
Ki	1070 nM	Carbonic anhydrase I	P00915
Ki	14000 nM	Hydroxycarboxylic acid receptor 2	Q8TDS4
AC50	10852 nM	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q63470
IC50	76000 nM	Aldose reductase	P15121
IC50	63000 nM	Aldo-keto reductase family 1 member B10	O60218
Others	25.95 %	Estrogen receptor alpha	P03372
Others	22.91 %	Estrogen receptor alpha	P03372
Others	0 %	Aldo-keto reductase family 1 member C2	P52895
Others	22 %	Aldo-keto-reductase family 1 member C3	P42330
Others	0 %	Aldo-keto reductase family 1 member C4	P17516
Others	22 %	Aldo-keto reductase family 1 member C1	Q04828
IC50	140 nM	Aldose reductase	P15121
EC50	4890 nM	Estrogen receptor beta	Q92731
EC50	16120 nM	Estrogen receptor alpha	P03372
IC50	83180 nM	Dipeptidyl peptidase IV	P27487
Ki	8010 nM	Carbonic anhydrase XII	O43570
Ki	6680 nM	Carbonic anhydrase XIV	Q9ULX7