Somniferine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 14106343
Molecular Formula

C36H36N2O7

SMILES

CN1CC[C@]23[C@@H]4C(=O)C(=C[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)[C@@H]6C[C@]78[C@@H]9C(=CC=C7[C@H](N6C)CC1=C8C(=C(C=C1)OC)O9)OC

InChI

InChI=1S/C36H36N2O7/c1-37-12-11-35-28-18-5-8-23(39)30(28)44-33(35)29(40)19(15-36(35,41)26(37)14-18)22-16-34-20-7-10-25(43-4)32(34)45-31-24(42-3)9-6-17(27(31)34)13-21(20)38(22)2/h5-10,15,21-22,26,32-33,39,41H,11-14,16H2,1-4H3/t21-,22+,26-,32+,33+,34+,35+,36-/m1/s1

synonyms
  • Somniferine
  • 117611-63-9
  • (4R,4aS,7aR,12bS)-6-[(2S,4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-2-yl]-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
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Properties
Property Value
MW 608.7 g/mol
HBD 2
HBA 9
Rotatable Bond Count 3
Exact Mass 608.25225149 g/mol
Monoisotopic Mass 608.25225149 g/mol
Heavy Atom Count 45
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1440
xlogp 2.6
Topological Polar Surface Area 101