5-demethylnobiletin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 23
Total Number of Articles : 11
PubChem 358832
Molecular Formula

C20H20O8

SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC

InChI

InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3

synonyms
  • Demethylnobiletin
  • 2174-59-6
  • 5-Demethylnobiletin
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Properties
Property Value
MW 388.4 g/mol
HBD 1
HBA 8
Rotatable Bond Count 6
Exact Mass 388.11581759 g/mol
Monoisotopic Mass 388.11581759 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 579
xlogp 3.2
Topological Polar Surface Area 92.7