3'-Demethylnobiletin

CAT: 0931-TN1244-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TN1244-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

112448-39-2

Target

LDL, NF-κB, STAT, Integrin, Lipoxygenase, Src, DNA/RNA Synthesis

Related Pathways

DNA Damage/DNA Repair, Angiogenesis, JAK/STAT signaling, Tyrosine Kinase/Adaptors, Metabolism, Stem Cells, NF-κB, Cell Cycle/Checkpoint, Cytoskeletal Signaling

Purity

0.9987

Bioactivity

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.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3'-Demethylnobiletin

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

CAS Number	112448-39-2
PubChem CID	183466
IUPAC Name	2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Molecular Formula	C20H20O8
Molecular Weight	388.4
XLogP	2.7
Topological Polar Surface Area	92.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	579

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

CAS: 112448-39-2

CID: 183466

Formula: C20H20O8

MW: 388.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	388.11581759
Monoisotopic Mass	388.11581759
Topological Polar Surface Area	92.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	579
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5759992	3'-Demethylnobiletin
BA6423-1	3-Demethylnobiletin
C14257-5mg	Demethylnobiletin
FD74228-01	5-Demethylnobiletin
HY-142066-01	4′-Demethylnobiletin
MBS5816188	4'-Demethylnobiletin
A24131-5	4?€?-Demethylnobiletin 5mg
A24131-1	4?€?-Demethylnobiletin 1mg
BA5447-1	5-O-Demethylnobiletin

3'-Demethylnobiletin

Chemical Information

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