Phyto4Health

(+)-Isolariciresinol 3Alpha-O-Beta-D-Glucopyranoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL459617
PubChem: 44560003
IUPAC: (2R,3R,4S,5S,6R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Standard InChI: InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16-,21-,22-,23-,24+,25-,26-/m1/s1
Standard InChI Key: AHYOMNWKYGMYMB-PBJGOBETSA-N
SMILES: OC[C@H]1Cc2cc(OC)c(cc2[C@H]([C@@H]1CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)OC)O)O

Molecular propeties

AlogP: -0.16
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 7
Rotatable bonds: 8
Number of rings: 4
Molecular Weight: 522.21
Topological polar surface area: 179
Number of aromatic rings: 2
Fsp3: 0.538
Number of carbons: 26

Plant sources

Part of plant Plant name Ref.
PlantEucalyptus maideni
PlantEucalyptus maideni

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.