2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one

• ChemBase ID: 72964
• Molecular Formular: C21H22O8
• Molecular Mass: 402.39458
• Monoisotopic Mass: 402.13146766
• SMILES: c1(c(c(c2c(c1OC)oc(cc2=O)c1cc(c(cc1)OC)OC)OC)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
• IUPAC Traditional name: nobiletin
• Synonyms: Hexamethoxyflavone; Nobiletin; 3',4',5,6,7,8-Hexamethoxyflavone; Nobiletin

Database IDs

• CAS Number: 478-01-3
• PubChem SID: 162037884
• PubChem CID: 72344
• Wikipedia Title: Nobiletin

CALCULATED PROPERTIES

• Acid pKa: 15.127322
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 2.0213575
• LogD (pH = 7.4): 2.0213575
• Log P: 2.0213575
• Molar Refractivity: 105.7504 cm^3
• Polarizability: 40.447197 Å^3
• Polar Surface Area: 81.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow powder

Safety Information

• Storage Condition: -20°C

Product Information

• Salt Data: Free Base
• Classification: Genuine Natural Compounds

DETAILS

Selleck Chemicals - S2333

Research Area: Neurological Disease
Biological Activity:
Nobiletin (Hexamethoxyflavone) is a chemical compound and an O-methylated flavone, a flavonoid isolated from citrus peels like in tangerine. Nobiletin (Hexamethoxyflavone) is an agent that have researches on self-microemulsifying agent delivery system going on. [1]

REFERENCES

• http://en.wikipedia.org/wiki/Nobiletin