neoisoliquiritin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 27
Total Number of Articles : 8
PubChem 14327425
Molecular Formula

C21H22O9

SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O

InChI

InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+

synonyms
  • Neoisoliquiritin
  • (E)-3-(4-Hydroxyphenyl)-1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
  • SCHEMBL25209678
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Properties
Property Value
MW 418.4 g/mol
HBD 6
HBA 9
Rotatable Bond Count 6
Exact Mass 418.12638228 g/mol
Monoisotopic Mass 418.12638228 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 589
xlogp 1.7
Topological Polar Surface Area 157