Astragalin

Representations & DB's id
ChEBI:	CHEBI:30200
ChEMBL:	CHEMBL233930
PubChem:	5282102
IUPAC:	5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Standard InChI:	InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
Standard InChI Key:	JPUKWEQWGBDDQB-QSOFNFLRSA-N
SMILES:	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	-0.24
Hydrogen bonds acceptors:	11
Hydrogen bonds donors:	7
Rotatable bonds:	4
Number of rings:	4
Molecular Weight:	448.1
Topological polar surface area:	186
Number of aromatic rings:	3
Fsp3:	0.286
Number of carbons:	21

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Potency	14575 nM	ATPase family AAA domain-containing protein 5	Q96QE3
AC50	6739 nM	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q63470
IC50	60500 nM	Aldose reductase	P15121
Potency	5011.9 nM	Glycoprotein hormones alpha chain	P01215
Others	50 %	Protein-tyrosine phosphatase 1B	P18031
Others	40 %	Epoxide hydratase	P34913
IC50	50000 nM	Epoxide hydratase	P34913
Ki	10000 nM	Carbonic anhydrase I	P00915
Ki	168 nM	Carbonic anhydrase II	P00918
Ki	5591.2 nM	Carbonic anhydrase IV	P22748
Ki	423.7 nM	Carbonic anhydrase VII	P43166
Ki	4.9 nM	Carbonic anhydrase XII	O43570