thaxtomine A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 7
Total Number of Articles : 4
PubChem 180098
Molecular Formula

C22H22N4O6

SMILES

CN1[C@H](C(=O)N([C@](C1=O)(CC2=CC(=CC=C2)O)O)C)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-24-18(10-14-12-23-16-7-4-8-17(19(14)16)26(31)32)20(28)25(2)22(30,21(24)29)11-13-5-3-6-15(27)9-13/h3-9,12,18,23,27,30H,10-11H2,1-2H3/t18-,22+/m0/s1

synonyms
  • Thaxtomin A
  • 122380-18-1
  • Thaxtomine A
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Properties
Property Value
MW 438.4 g/mol
HBD 3
HBA 6
Rotatable Bond Count 4
Exact Mass 438.15393443 g/mol
Monoisotopic Mass 438.15393443 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 759
xlogp 1.9
Topological Polar Surface Area 143