Isoquercetin

Representations & DB's id
ChEBI:	CHEBI:68352
ChEMBL:	CHEMBL250450
PubChem:	5280804
IUPAC:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Standard InChI:	InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
Standard InChI Key:	OVSQVDMCBVZWGM-QSOFNFLRSA-N
SMILES:	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	-0.54
Hydrogen bonds acceptors:	12
Hydrogen bonds donors:	8
Rotatable bonds:	4
Number of rings:	4
Molecular Weight:	464.1
Topological polar surface area:	207
Number of aromatic rings:	3
Fsp3:	0.286
Number of carbons:	21

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Potency	12589.3 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	15848.9 nM	Microtubule-associated protein tau	P10636
Potency	3548.1 nM	Lysosomal alpha-glucosidase	P10253
Potency	1778.3 nM	DNA polymerase beta	P06746
IC50	5250 nM	Intestinal alkaline phosphatase	P09923
IC50	100000 nM	Alkaline phosphatase placental-like	P10696
Potency	8912.5 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
IC50	14000 nM	Alkaline phosphatase, tissue-nonspecific isozyme	P05186
IC50	8960 nM	Intestinal alkaline phosphatase	P09923
IC50	4500 nM	Aldose reductase	P15121
IC50	10000 nM	Tyrosine-protein kinase receptor FLT3	P36888
Others	50 %	Protein-tyrosine phosphatase 1B	P18031
Others	40 %	Epoxide hydratase	P34913
IC50	28430 nM	Epoxide hydratase	P34913
Others	-2.5 %	Plasminogen	P00747
Ki	10000 nM	Carbonic anhydrase I	P00915
Ki	6211.2 nM	Carbonic anhydrase II	P00918
Ki	75.7 nM	Carbonic anhydrase IV	P22748
Ki	3.8 nM	Carbonic anhydrase VII	P43166
Ki	52.1 nM	Carbonic anhydrase XII	O43570
Ki	10000 nM	Carbonic anhydrase I	P00915
Ki	410 nM	Carbonic anhydrase II	P00918
Ki	170 nM	Carbonic anhydrase XII	O43570