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Chemical structure of 3'-Hydroxypuerarin

GC35113

3'-Hydroxypuerarin

Also known as 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

3'-Hydroxypuerarin is an isoflavone isolated from the roots of Pueraria lobata (Willd

ChemicalCAS117060-54-5MW432.38FormulaC21H20O10
CAS number
117060-54-5
Molecular weight
432.38
Formula
C21H20O10
Solubility
DMSO ： 100 mg/mL (231·28 mM; Need ultrasonic)
InChIKey
GARZMRVWLORUSR-VPRICQMDSA-N
Catalogue number
GC35113
Brand
GLPBIO
Computed properties PubChem CID 5748205 · XLogP -0.3 · TPSA 177 Ų · H-bond donors 7
XLogP
-0.3
TPSA
177 Ų
H-bond donors
7
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
31

SMILES C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

Computed descriptors from PubChem (CID 5748205), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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