Phyto4Health

(-)-Pinoresinol 4-O-Beta-D-Glucopyranoside

Representations & DB's id

ChEBI: CHEBI:81162
ChEMBL: CHEMBL573336
PubChem: 11168362
IUPAC: (2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Standard InChI: InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1
Standard InChI Key: QLJNETOQFQXTLI-JKUDBEEXSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2OC)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: 0.66
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 5
Rotatable bonds: 7
Number of rings: 5
Molecular Weight: 520.19
Topological polar surface area: 157
Number of aromatic rings: 2
Fsp3: 0.538
Number of carbons: 26

Plant sources

Part of plant Plant name Ref.
PlantHumulus lupulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.