Cerulenin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 159
Total Number of Articles : 163
PubChem 5282054
Molecular Formula

C12H17NO3

SMILES

C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N

InChI

InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1

synonyms
  • cerulenin
  • 17397-89-6
  • Helicocerin
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Properties
Property Value
MW 223.27 g/mol
HBD 1
HBA 3
Rotatable Bond Count 7
Exact Mass 223.12084340 g/mol
Monoisotopic Mass 223.12084340 g/mol
Heavy Atom Count 16
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 320
xlogp 0.8
Topological Polar Surface Area 72.7