Emodin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 382
Total Number of Articles : 227
PubChem 3220
Molecular Formula

C15H10O5

SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O

InChI

InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

synonyms
  • emodin
  • 518-82-1
  • Emodol
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Properties
Property Value
MW 270.24 g/mol
HBD 3
HBA 5
Rotatable Bond Count 0
Exact Mass 270.05282342 g/mol
Monoisotopic Mass 270.05282342 g/mol
Heavy Atom Count 20
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 434
xlogp 2.7
Topological Polar Surface Area 94.8