evodiamine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 329
Total Number of Articles : 209
PubChem 442088
Molecular Formula

C19H17N3O

SMILES

CN1[C@@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3

InChI

InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1

synonyms
  • Evodiamine
  • 518-17-2
  • (+)-Evodiamine
Click to show/hide the synonyms
Properties
Property Value
MW 303.4 g/mol
HBD 1
HBA 2
Rotatable Bond Count 0
Exact Mass 303.137162174 g/mol
Monoisotopic Mass 303.137162174 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 495
xlogp 3.1
Topological Polar Surface Area 39.3