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Chemical structure of 2,7"-Phloroglucinol-6,6'-bieckol

GC71909

2,7"-Phloroglucinol-6,6'-bieckol

Also known as 4-[2,6-bis(3,5-dihydroxyphenoxy)-4,7,9-trihydroxydibenzo-p-dioxin-1-yl]-9-(3,5-dihydroxyphenoxy)-8-(2,4,6-trihydroxyphenoxy)dibenzo-p-dioxin-1,3,6-triol

2,7“-Phloroglucinol-6,6'-bieckol is an orally active dual α-amylase/α-glucosidase inhibitor with IC50 values of 6·94 μM and 23·35 μM respectively

ChemicalCAS1621988-60-0MW974.74FormulaC48H30O23
CAS number
1621988-60-0
Molecular weight
974.74
Formula
C48H30O23
InChIKey
OMULTTBRRIGHKV-UHFFFAOYSA-N
Catalogue number
GC71909
Brand
GLPBIO
Computed properties PubChem CID 163111960 · XLogP 6.6 · TPSA 377 Ų · H-bond donors 15
XLogP
6.6
TPSA
377 Ų
H-bond donors
15
H-bond acceptors
23
Rotatable bonds
9
Heavy atoms
71

SMILES C1=C(C=C(C=C1O)OC2=C(C3=C(C(=C2)O)OC4=C(O3)C(=CC(=C4OC5=CC(=CC(=C5)O)O)O)O)C6=C7C(=C(C=C6O)O)OC8=C(O7)C(=CC(=C8OC9=CC(=CC(=C9)O)O)OC1=C(C=C(C=C1O)O)O)O)O

Computed descriptors from PubChem (CID 163111960), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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