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Chemical structure of Diphlorethohydroxycarmalol

GC71877

Diphlorethohydroxycarmalol

Also known as 7-(3,5-dihydroxyphenoxy)-3-(2,4,6-trihydroxyphenoxy)dibenzo-p-dioxin-1,2,6,8-tetrol

Diphlorethohydroxycarmalol, a kind of phlorotannin, is an orally active α-glucosidase and α-amylase inhibitor with IC50s of 0·16 mM and 0·53 mM, respectively

ChemicalCAS138529-04-1MW512.38FormulaC24H16O13
CAS number
138529-04-1
Molecular weight
512.38
Formula
C24H16O13
Solubility
H2O ： 10 mg/mL (19·52 mM; Need ultrasonic and warming)
InChIKey
FGIOHPMUNJGQTO-UHFFFAOYSA-N
Catalogue number
GC71877
Brand
GLPBIO
Computed properties PubChem CID 16075395 · XLogP 2.9 · TPSA 219 Ų · H-bond donors 9
XLogP
2.9
TPSA
219 Ų
H-bond donors
9
H-bond acceptors
13
Rotatable bonds
4
Heavy atoms
37

SMILES C1=C(C=C(C=C1O)OC2=C(C3=C(C=C2O)OC4=C(C(=C(C=C4O3)OC5=C(C=C(C=C5O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 16075395), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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