cyclopamine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 328
Total Number of Articles : 536
PubChem 442972
Molecular Formula

C27H41NO2

SMILES

C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1

InChI

InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1

synonyms
  • CYCLOPAMINE
  • 4449-51-8
  • 11-Deoxojervine
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Properties
Property Value
MW 411.6 g/mol
HBD 2
HBA 3
Rotatable Bond Count 0
Exact Mass 411.313729551 g/mol
Monoisotopic Mass 411.313729551 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 801
xlogp 3.5
Topological Polar Surface Area 41.5