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4′-Demethylnobiletin

CAT: 0013-GTR19221430-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221430-01Size:5 mg
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Description
4′-Demethylnobiletin is a bioactive metabolite that stimulates the PKA/ERK/CREB pathway, boosting CRE-mediated transcription in hippocampal neurons. It has been shown in research models to counteract memory deficits induced by NMDA receptor antagonism via ERK activation, highlighting its utility in neuroscience studies related to synaptic plasticity and cognitive function.
CAS Number
34810-62-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery, Signal Transduction
Smiles
COc1cc (ccc1O) -c1cc (=O) c2c (OC) c (OC) c (OC) c (OC) c2o1
Molecular Formula
C20H20O8
Molecular Weight
388.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4'-Demethylnobiletin

4'-Hydroxy-3',5,6,7,8-pentamethoxyflavone is an ether and a member of flavonoids.

CAS Number34810-62-3
PubChem CID21593928
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Molecular FormulaC20H20O8
Molecular Weight388.4
XLogP2.7
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity579
SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O
InChI
InChI=1S/C20H20O8/c1-23-14-8-10(6-7-11(14)21)13-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,21H,1-5H3
InChIKey
NHMZUDOXUOAEOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Demethylnobiletin
CAS: 34810-62-3
CID: 21593928
Formula: C20H20O8
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass388.11581759
Monoisotopic Mass388.11581759
Topological Polar Surface Area92.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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