Nobiletin

Compound Structure:

Synonyms:

Nobiletin; Hexamethoxyflavone; 3',4',5,6,7,8-Hexamethoxyflavone; 5,6,7,8,3',4'-Hexamethoxyflavone; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one

Compound ID:

NMPC-1319

PubChem ID:

72344

Molecular Formula:

C21H22O8

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC

InChIKey:

MRIAQLRQZPPODS-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	402.4 g/mol
XLogP3-AA	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	402.13146766 g/mol
Monoisotopic Mass	402.13146766 g/mol
Topological Polar Surface Area	81.7Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	593
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
Physical Description	Solid
Melting Point	134 °C

Source: PubChem

Source Species:

Talinum triangulare

Download SDF