Catechin

Representations & DB's id
ChEBI:	CHEBI:23053
ChEMBL:	CHEMBL206452
PubChem:	1203
IUPAC:	2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Standard InChI:	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
Standard InChI Key:	PFTAWBLQPZVEMU-UHFFFAOYSA-N
SMILES:	Oc1cc2OC(c3ccc(c(c3)O)O)C(Cc2c(c1)O)O

Molecular propeties
AlogP:	1.55
Hydrogen bonds acceptors:	6
Hydrogen bonds donors:	5
Rotatable bonds:	1
Number of rings:	3
Molecular Weight:	290.08
Topological polar surface area:	110
Number of aromatic rings:	2
Fsp3:	0.2
Number of carbons:	15

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Others	13.1 %	Salivary alpha-amylase	P04745
Ki	2420 nM	Carbonic anhydrase I	P00915
Ki	1840 nM	Carbonic anhydrase II	P00918
Ki	3580 nM	Carbonic anhydrase III	P07451
Ki	4900 nM	Carbonic anhydrase IV	P22748
Ki	4210 nM	Carbonic anhydrase VA	P35218
Ki	4020 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	4910 nM	Carbonic anhydrase VI	P23280
Ki	450 nM	Carbonic anhydrase VII	P43166
Ki	5030 nM	Carbonic anhydrase IX	Q16790
Ki	4720 nM	Carbonic anhydrase XII	O43570
Ki	10510 nM	Carbonic anhydrase XIII	Q8N1Q1
Ki	11550 nM	Carbonic anhydrase XIV	Q9ULX7
Potency	14125.4 nM	ATP-dependent DNA helicase Q1	P46063
Potency	11220.2 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	2511.9 nM	DNA-(apurinic or apyrimidinic site) lyase	P27695
Potency	3162.3 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
Potency	10000 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	12589.3 nM	Arachidonate 15-lipoxygenase	P16050
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
Potency	15848.9 nM	MAP kinase ERK2	P28482
Potency	19952.6 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	141253.8 nM	ATP-dependent DNA helicase Q1	P46063
IC50	100000 nM	Lymphocyte differentiation antigen CD38	P28907
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-1	P22309
Ki	100000 nM	Apoptosis regulator Bcl-2	P10415