lupulon

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 18
Total Number of Articles : 9
PubChem 68051
Molecular Formula

C26H38O4

SMILES

CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O

InChI

InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28-29H,10,13-15H2,1-8H3

synonyms
  • Lupulone
  • Lupulon
  • 468-28-0
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Properties
Property Value
MW 414.6 g/mol
HBD 2
HBA 4
Rotatable Bond Count 9
Exact Mass 414.27700969 g/mol
Monoisotopic Mass 414.27700969 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 812
xlogp 6.7
Topological Polar Surface Area 74.6