Thapsigargin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1436
Total Number of Articles : 2300
PubChem 446378
Molecular Formula

C34H50O12

SMILES

CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O

InChI

InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1

synonyms
  • thapsigargin
  • 67526-95-8
  • MFCD00083511
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Properties
Property Value
MW 650.8 g/mol
HBD 2
HBA 12
Rotatable Bond Count 17
Exact Mass 650.33022703 g/mol
Monoisotopic Mass 650.33022703 g/mol
Heavy Atom Count 46
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1270
xlogp 3.6
Topological Polar Surface Area 172