Phyto4Health

Apigenin 4'-Beta-O-D-Glucopyranoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL563492
PubChem: 5491384
IUPAC: 5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Standard InChI: InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
Standard InChI Key: ICLVCWSZHUZEFT-QNDFHXLGSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)c2cc(=O)c3c(o2)cc(cc3O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: 0.05
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 432.11
Topological polar surface area: 166
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantPunica granatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.