berbamine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 129
Total Number of Articles : 75
PubChem 12300053
Molecular Formula

C37H40N2O6

SMILES

CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC

InChI

InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1

synonyms
  • BERBAMINE
  • (1R,14S)-20,21,25-Trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol
  • 478-61-5
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Properties
Property Value
MW 608.7 g/mol
HBD 1
HBA 8
Rotatable Bond Count 3
Exact Mass 608.28863700 g/mol
Monoisotopic Mass 608.28863700 g/mol
Heavy Atom Count 45
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 963
xlogp 6.1
Topological Polar Surface Area 72.9