Kaempferol-3-O-(3'',4\-Diacetyl-2\,6\"""-Di-E-P-Coumaroyl)-Glucoside"""""""""

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL3628130
PubChem:	10328097
IUPAC:	[(2R,3R,4S,5R,6S)-3,4-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Standard InChI:	InChI=1S/C43H36O17/c1-22(44)55-39-33(21-54-34(51)17-7-24-3-11-27(46)12-4-24)58-43(42(41(39)56-23(2)45)59-35(52)18-8-25-5-13-28(47)14-6-25)60-40-37(53)36-31(50)19-30(49)20-32(36)57-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8+/t33-,39-,41+,42-,43+/m1/s1
Standard InChI Key:	IFLHDGGEJKVLAF-FEMPFSAESA-N
SMILES:	O=C(OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)/C=C/c1ccc(cc1)O)/C=C/c1ccc(cc1)O

Molecular propeties
AlogP:	4.84
Hydrogen bonds acceptors:	17
Hydrogen bonds donors:	5
Rotatable bonds:	12
Number of rings:	6
Molecular Weight:	824.7
Topological polar surface area:	251
Number of aromatic rings:	5
Fsp3:	0.186
Number of carbons:	43

Plant sources

Part of plant	Plant name	Ref.
Plant	Quercus robur

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Ki	10000 nM	Carbonic anhydrase I	P00915
Ki	6863.3 nM	Carbonic anhydrase II	P00918
Ki	62.2 nM	Carbonic anhydrase IV	P22748
Ki	26.6 nM	Carbonic anhydrase VII	P43166
Ki	399.7 nM	Carbonic anhydrase XII	O43570