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Chemical structure of 3'-Methoxypuerarin

GC33696

3'-Methoxypuerarin

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

3'-Methoxypuerarin (3'-MOP) is an isoflavone extracted from radix puerariae that shows neuron protection activity

ChemicalCAS117047-07-1MW446.4FormulaC22H22O10
CAS number
117047-07-1
Molecular weight
446.4
Formula
C22H22O10
Solubility
DMSO ： 250 mg/mL (560·04 mM; Need ultrasonic)
InChIKey
HQQUZVFMUSCUJS-PGPONNFDSA-N
Catalogue number
GC33696
Brand
GLPBIO
Computed properties PubChem CID 5319485 · XLogP 0 · TPSA 166 Ų · H-bond donors 6
XLogP
0
TPSA
166 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
32

SMILES COC1=C(C=CC(=C1)C2=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

Computed descriptors from PubChem (CID 5319485), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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