Phyto4Health

Isovitexin

Representations & DB's id
ChEBI: CHEBI:18330
ChEMBL: CHEMBL465360
PubChem: 162350
IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Standard InChI: InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1
Standard InChI Key: MYXNWGACZJSMBT-VJXVFPJBSA-N
SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O

Molecular propeties
AlogP: 0.09
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 7
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 432.11
Topological polar surface area: 177
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
RhizomaGentiana lutea
PlantPanax ginseng
PlantPotentilla erecta
PlantTaraxacum officinale
PlantPimpinella major

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency19952.6 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency4466.8 nMGuanine nucleotide-binding protein G(s), subunit alphaP63092
Others76.84 %Lysosomal alpha-glucosidaseP10253
IC5068.71 ug/mlLysosomal alpha-glucosidaseP10253