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3'-Demethylnobiletin

CAT: 0013-GTR19165428-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165428-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3'-Demethylnobiletin is a bioactive flavonoid with demonstrated chemopreventive potential against colon cancer. In vitro studies show it inhibits colon cancer cell proliferation, induces cell-cycle arrest and apoptosis, while in vivo models support its anti-carcinogenic activity in the colon.
CAS Number
112448-39-2
Product Name Alternative
RNA Synthesis, RNASynthesis, DNASynthesis, DNA Synthesis, CD36, 3' Demethylnobiletin, 3'Demethylnobiletin, 3'-Demethylnobiletin, AP-1, LDL, Inhibitor, LOX, inhibit, NF-kB, NFkB, NF-κB, NFκB
Field of Research
Cardiovascular Research, Cell Biology, Metabolism Research, Molecular Biology, Signal Transduction, Stem Cell & Developmental Biology
Purity
98.75% (May vary between batches)
Solubility
DMSO:80 mg/mL (205.99 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (8.5 mM)
Smiles
O (C) C1=C2C (=C (OC) C (OC) =C1OC) OC (=CC2=O) C3=CC (O) =C (OC) C=C3
Molecular Formula
C20H20O8
Molecular Weight
388.37
Storage Conditions
Store at low temperature, keep away from direct sunlight, keep away from moisture | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

3'-Demethylnobiletin

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

CAS Number112448-39-2
PubChem CID183466
IUPAC Name2-(3-hydroxy-4-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=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O
InChI
InChI=1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3
InChIKey
XFYYZBJXMSDKCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Demethylnobiletin
CAS: 112448-39-2
CID: 183466
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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