coronatine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 44
Total Number of Articles : 67
PubChem 91681
Molecular Formula

C18H25NO4

SMILES

CC[C@@H]1C[C@H]2[C@H](CCC2=O)C(=C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O

InChI

InChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,18+/m1/s1

synonyms
  • Coronatine
  • 62251-96-1
  • WCR4XUE8VB
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Properties
Property Value
MW 319.4 g/mol
HBD 2
HBA 4
Rotatable Bond Count 5
Exact Mass 319.17835828 g/mol
Monoisotopic Mass 319.17835828 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 582
xlogp 2
Topological Polar Surface Area 83.5