Phyto4Health

Kaempferol-3-O-Sophoroside

Representations & DB's id

ChEBI: CHEBI:31743
ChEMBL: CHEMBL2032411
PubChem: 5282155
IUPAC: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
Standard InChI Key: LKZDFKLGDGSGEO-UJECXLDQSA-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[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

Molecular propeties

AlogP: -2.42
Hydrogen bonds acceptors: 16
Hydrogen bonds donors: 10
Rotatable bonds: 7
Number of rings: 5
Molecular Weight: 610.15
Topological polar surface area: 266
Number of aromatic rings: 3
Fsp3: 0.444
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
FoliumPanax ginseng
FlowerCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.