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5-DEMETHYLNOBILETIN

CAT: 0013-GTR19158168-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19158168-01Size:1 g
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Description
5-DEMETHYLNOBILETIN is a natual product has anti-inflammatory activity it may act through a direct inhibition of 5-LOX without affecting the expression of COX-2.
CAS Number
2174-59-6
Product Name Alternative
5-O-Demethylnobiletin
Purity
>98% (HPLC)
Solubility
DMSO:32 mg/mL (82.39 mM)
Smiles
COc1ccc (cc1OC) -c1cc (=O) c2c (O) c (OC) c (OC) c (OC) c2o1
Molecular Formula
C20H20O8
Molecular Weight
388.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2- (34-Dimethoxyphenyl) -5-hydroxy-678-trimethoxychromen-4-one

Chemical Information

5-Demethylnobiletin

Demethylnobiletin is an ether and a member of flavonoids.

CAS Number2174-59-6
PubChem CID358832
IUPAC Name2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
Molecular FormulaC20H20O8
Molecular Weight388.4
XLogP3.2
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=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC
InChI
InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3
InChIKey
DOFJNFPSMUCECH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Demethylnobiletin
CAS: 2174-59-6
CID: 358832
Formula: C20H20O8
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP33.2
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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C14257-5mgDemethylnobiletin
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