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Chemical structure of Sophoflavescenol

GC33067

Sophoflavescenol

Also known as 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one

Sophoflavescenol is a prenylated flavonol, which shows great inhibitory activity with IC50 of 0·013 μM against Phosphodiesterase 5 (PDE5), and also inhibits RLAR, HRAR, AGE, BACE1, AChE and BChE with IC50s of 0·30 ?M, 0·17 ?M, 17·89 ?g/mL, 10·98 ?M, 8·37 ?M and 8·21 ?M, respectively

ChemicalCAS216450-65-6MW368.38FormulaC21H20O6
CAS number
216450-65-6
Molecular weight
368.38
Formula
C21H20O6
Solubility
Soluble in DMSO
InChIKey
VMLJAWUWVVHRNG-UHFFFAOYSA-N
Catalogue number
GC33067
Brand
GLPBIO
Computed properties PubChem CID 9929189 · XLogP 4.2 · TPSA 96.2 Ų · H-bond donors 3
XLogP
4.2
TPSA
96.2 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27

SMILES CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)C

Computed descriptors from PubChem (CID 9929189), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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