neferine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 174
Total Number of Articles : 99
PubChem 159654
Molecular Formula

C38H44N2O6

SMILES

CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC

InChI

InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1

synonyms
  • Neferine
  • 2292-16-2
  • Neferin
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Properties
Property Value
MW 624.8 g/mol
HBD 1
HBA 8
Rotatable Bond Count 10
Exact Mass 624.31993713 g/mol
Monoisotopic Mass 624.31993713 g/mol
Heavy Atom Count 46
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 933
xlogp 6.7
Topological Polar Surface Area 72.9