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3'-Demethylnobiletin

CAT: 1410-M29071-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M29071-01Size:5 mg
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Description
3'-Demethylnobiletin has chemopreventive effects on colon carcinogenesis, it can significantly inhibit the growth of human colon cancer cells, cause cell-cycle arrest, induce apoptosis, and profoundly modulate signaling proteins related with cell proliferation and cell death.
CAS Number
112448-39-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
388.372
Molecular Formula
C20H20O8
Notes
Research use only, not for human use.
Receptor
LDL

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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