Phyto4Health

8-Hydroxypinoresinol-4'-O-Beta-D-Glucopyranoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL479730
PubChem: 21591950
IUPAC: (2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Standard InChI: InChI=1S/C26H32O12/c1-33-17-8-13(3-5-15(17)28)24-26(32)11-36-23(14(26)10-35-24)12-4-6-16(18(7-12)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25-,26-/m1/s1
Standard InChI Key: GQLQVPZSTWXDBQ-ZOKOZUFBSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2OC)[C@H]2OC[C@]3([C@@H]2CO[C@@H]3c2ccc(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.22
Hydrogen bonds acceptors: 12
Hydrogen bonds donors: 6
Rotatable bonds: 7
Number of rings: 5
Molecular Weight: 536.19
Topological polar surface area: 177
Number of aromatic rings: 2
Fsp3: 0.538
Number of carbons: 26

Plant sources

Part of plant Plant name Ref.
PlantValeriana officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.