panduratin A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 79
Total Number of Articles : 22
PubChem 6483648
Molecular Formula

C26H30O4

SMILES

CC1=CC[C@H]([C@@H]([C@@H]1CC=C(C)C)C(=O)C2=C(C=C(C=C2O)OC)O)C3=CC=CC=C3

InChI

InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1

synonyms
  • Panduratin A
  • 89837-52-5
  • Panoid
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Properties
Property Value
MW 406.5 g/mol
HBD 2
HBA 4
Rotatable Bond Count 6
Exact Mass 406.21440943 g/mol
Monoisotopic Mass 406.21440943 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 629
xlogp 6
Topological Polar Surface Area 66.8