garcinol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 215
Total Number of Articles : 102
PubChem 138111558
Molecular Formula

C38H50O6

SMILES

CC(=CCC1C[C@@]2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)[C@@](C2=O)(C1(C)C)CC=C(C)C)CC(CC=C(C)C)C(=C)C)C

InChI

InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-41H,7,13,15,18,20-21H2,1-6,8-10H3/t27?,28?,37-,38+/m1/s1

synonyms
  • Garcinol
  • 78824-30-3
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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 1300
xlogp 10.3
Topological Polar Surface Area 112