Berberine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1417
Total Number of Articles : 1525
PubChem 2353
Molecular Formula

C20H18NO4+

SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC

InChI

InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1

synonyms
  • berberine
  • 2086-83-1
  • Umbellatine
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Properties
Property Value
MW 336.4 g/mol
HBD 0
HBA 4
Rotatable Bond Count 2
Exact Mass 336.12358306 g/mol
Monoisotopic Mass 336.12358306 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 488
xlogp 3.6
Topological Polar Surface Area 40.8