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Chemical structure of trans-ε-Viniferin

GC45582

trans-ε-Viniferin

Also known as 5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

ε-Viniferin, the dimer of Resveratrol and isolated from Vitis vinifera, displays a potent inhibitory for all the CYP activities, with Ki values from 0·5-20 μM

ChemicalCAS62218-08-0MW454.5FormulaC28H22O6
CAS number
62218-08-0
Molecular weight
454.5
Formula
C28H22O6
Solubility
Soluble in DMSO
InChIKey
FQWLMRXWKZGLFI-IZLXSDGUSA-N
Catalogue number
GC45582
Brand
GLPBIO
Computed properties PubChem CID 173851 · XLogP 5.4 · TPSA 110 Ų · H-bond donors 5
XLogP
5.4
TPSA
110 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34

SMILES C1=CC(=CC=C1C=CC2=C3[C@H]([C@@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O

Computed descriptors from PubChem (CID 173851), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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