Phyto4Health

Trans-E-Viniferin

Representations & DB's id

ChEBI: CHEBI:76137
ChEMBL: CHEMBL498439
PubChem: 5315233
IUPAC: 5-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Standard InChI: InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m0/s1
Standard InChI Key: FQWLMRXWKZGLFI-BQYFGGCBSA-N
SMILES: Oc1ccc(cc1)/C=C/c1cc(O)cc2c1[C@H](c1cc(O)cc(c1)O)[C@H](O2)c1ccc(cc1)O

Molecular propeties

AlogP: 5.65
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 5
Rotatable bonds: 4
Number of rings: 5
Molecular Weight: 454.14
Topological polar surface area: 110
Number of aromatic rings: 4
Fsp3: 0.071
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.