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Chemical structure of Kobophenol A

GC64263

Kobophenol A

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

Kobophenol A, an oligomeric stilbene, blocks the interaction between the ACE2 receptor and S1-RBD with an IC50 of 1·81 μM and inhibits SARS-CoV-2 viral infection in cells with an EC50 of 71·6 μM

ChemicalCAS124027-58-3MW924.94FormulaC56H44O13
CAS number
124027-58-3
Molecular weight
924.94
Formula
C56H44O13
InChIKey
RAUCCLKIJHMTND-LUPMIFTGSA-N
Catalogue number
GC64263
Brand
GLPBIO
Computed properties PubChem CID 484758 · XLogP 8.8 · TPSA 230 Ų · H-bond donors 10
XLogP
8.8
TPSA
230 Ų
H-bond donors
10
H-bond acceptors
13
Rotatable bonds
8
Heavy atoms
69

SMILES C1=CC(=CC=C1[C@@H]2[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)O)C4=C5[C@@H]([C@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8[C@H]([C@@H](OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC(=CC(=C1)O)O)O

Computed descriptors from PubChem (CID 484758), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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