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Nobiletin (Hexamethoxyflavone) 25mg

CAT: 0628-A10651-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A10651-25Size:25 mg
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CAS Number
478-01-3

Chemical Information

Nobiletin

Nobiletin is a methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively. It has a role as an antineoplastic agent and a plant metabolite. It is functionally related to a flavone.

CAS Number478-01-3
PubChem CID72344
IUPAC Name2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Molecular FormulaC21H22O8
Molecular Weight402.4
XLogP3
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity593
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
InChI
InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
InChIKey
MRIAQLRQZPPODS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nobiletin
CAS: 478-01-3
CID: 72344
Formula: C21H22O8
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass402.13146766
Monoisotopic Mass402.13146766
Topological Polar Surface Area81.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity593
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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