Phyto4Health

Physcion 8-O-Glucoside

Representations & DB's id

ChEBI: CHEBI:8185
ChEMBL: CHEMBL457944
PubChem: 5319323
IUPAC: 1-hydroxy-3-methoxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Standard InChI: InChI=1S/C22H22O10/c1-8-3-10-16(19(27)15-11(17(10)25)5-9(30-2)6-12(15)24)13(4-8)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1
Standard InChI Key: WLXGUTUUWXVZNM-DQMLXFRHSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cc(cc2O)OC)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.34
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 5
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 446.12
Topological polar surface area: 163
Number of aromatic rings: 2
Fsp3: 0.364
Number of carbons: 22

Plant sources

Part of plant Plant name Ref.
PlantLavandula vera
PlantRheum palmatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.