isochaihulactone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 16
Total Number of Articles : 6
PubChem 641765
Molecular Formula

C22H22O7

SMILES

COC1=CC(=CC(=C1OC)OC)/C=C\2/[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7-/t15-/m0/s1

synonyms
  • Isochaihulactone
  • (3Z,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
  • 4-benzo(1,3)dioxol-5-ylmethyl-3(3,4,5-trimethoxybenzylidene)dihydrofuran-2-one
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Properties
Property Value
MW 398.4 g/mol
HBD 0
HBA 7
Rotatable Bond Count 6
Exact Mass 398.13655304 g/mol
Monoisotopic Mass 398.13655304 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 592
xlogp 3.7
Topological Polar Surface Area 72.5