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Chemical structure of 5-Demethylnobiletin

GC35168

5-Demethylnobiletin

Also listed as 5-O-Demethylnobiletin

5-O-Demethylnobiletin (5-Demethylnobiletin), a polymethoxyflavone isolated from Sideritis tragoriganum, is a direct inhibition of 5-LOX (IC50=0·1 μM), without affecting the expression of COX-2

ChemicalCAS2174-59-6MW388.37FormulaC20H20O8
CAS number
2174-59-6
Molecular weight
388.37
Formula
C20H20O8
Solubility
DMSO ： 25 mg/mL (64·37 mM; Need ultrasonic)
InChIKey
DOFJNFPSMUCECH-UHFFFAOYSA-N
Catalogue number
GC35168
Brand
GLPBIO
Computed properties PubChem CID 358832 · XLogP 3.2 · TPSA 92.7 Ų · H-bond donors 1
XLogP
3.2
TPSA
92.7 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
28

SMILES COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC

Computed descriptors from PubChem (CID 358832), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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