7-deoxypancratistatin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 4
PubChem 443741
Molecular Formula

C14H15NO7

SMILES

C1OC2=C(O1)C=C3C(=C2)[C@@H]4[C@H]([C@@H]([C@@H]([C@H]([C@@H]4O)O)O)O)NC3=O

InChI

InChI=1S/C14H15NO7/c16-10-8-4-1-6-7(22-3-21-6)2-5(4)14(20)15-9(8)11(17)13(19)12(10)18/h1-2,8-13,16-19H,3H2,(H,15,20)/t8-,9-,10-,11+,12+,13+/m1/s1

synonyms
  • 7-Deoxypancratistatin
  • CHEBI:31142
  • (1R,2S,3S,4S,4aR,11bR)-1,2,3,4-tetrahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
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Properties
Property Value
MW 309.27 g/mol
HBD 5
HBA 7
Rotatable Bond Count 0
Exact Mass 309.08485182 g/mol
Monoisotopic Mass 309.08485182 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 474
xlogp -1.8
Topological Polar Surface Area 129