15-deoxyprostaglandin J2

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 177
Total Number of Articles : 194
PubChem 23352190
Molecular Formula

C20H30O3

SMILES

CCCCCC/C=C/C1C(C=CC1=O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C20H30O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h7,9-10,13,15-18H,2-6,8,11-12,14H2,1H3,(H,22,23)/b9-7+,13-10+

synonyms
  • 15-deoxyprostaglandin J2
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Properties
Property Value
MW 318.4 g/mol
HBD 1
HBA 3
Rotatable Bond Count 12
Exact Mass 318.21949481 g/mol
Monoisotopic Mass 318.21949481 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 446
xlogp 5.1
Topological Polar Surface Area 54.4