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Chemical structure of Hibifolin

GC60899

Hibifolin

Also known as (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Hibifolin, a flavonol glycoside, is a potential inhibitor of adenosine deaminase (ADA), with a Ki of 49·92 μM

ChemicalCAS55366-56-8MW494.36FormulaC21H18O14
CAS number
55366-56-8
Molecular weight
494.36
Formula
C21H18O14
Solubility
DMSO ： 100 mg/mL (202·28 mM; Need ultrasonic)
InChIKey
KHVMAMXQPVHXTJ-ORYXKJSJSA-N
Catalogue number
GC60899
Brand
GLPBIO
Computed properties PubChem CID 5490334 · XLogP 0.3 · TPSA 244 Ų · H-bond donors 9
XLogP
0.3
TPSA
244 Ų
H-bond donors
9
H-bond acceptors
14
Rotatable bonds
4
Heavy atoms
35

SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 5490334), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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