garcinoic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 6
PubChem 169440892
Molecular Formula

C27H38O4

SMILES

CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(/C)\CC/C=C(/C)\C(=O)O)O

InChI

InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9-,20-12+,21-13-/t27-/m1/s1

synonyms
  • Garcinoic acid
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Properties
Property Value
MW 426.6 g/mol
HBD 2
HBA 4
Rotatable Bond Count 10
Exact Mass 426.27700969 g/mol
Monoisotopic Mass 426.27700969 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 689
xlogp 7.3
Topological Polar Surface Area 66.8