guttiferone K

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 3
PubChem 16216670
Molecular Formula

C38H50O6

SMILES

CC(=CCC[C@]1([C@@H](C[C@]2(C(=O)/C(=C(/C3=CC(=C(C=C3)O)O)\O)/C(=O)[C@@]1(C2=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)C)C

InChI

InChI=1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,39-41H,10,14,18-20,22H2,1-9H3/b32-31+/t28-,36+,37+,38-/m1/s1

synonyms
  • guttiferone K
  • CHEMBL388529
  • (1R,3E,5S,6S,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6-methyl-1,5,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
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Properties
Property Value
MW 602.8 g/mol
HBD 3
HBA 6
Rotatable Bond Count 10
Exact Mass 602.36073931 g/mol
Monoisotopic Mass 602.36073931 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1290
xlogp 10.4
Topological Polar Surface Area 112