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Substance Name: Thapsigargin
RN: 67526-95-8
UNII: Z96BQ26RZD
InChIKey: IXFPJGBNCFXKPI-FSIHEZPISA-N

Note

  • A sesquiterpene lactone found in roots of THAPSIA. It inhibits CA(2+)-TRANSPORTING ATPASE mediated uptake of CALCIUM into SARCOPLASMIC RETICULUM.

Molecular Formula

  • C34-H50-O12

Molecular Weight

  • 650.757
 

Classification Code

  • Enzyme Inhibitors
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Names and Synonyms

Name of Substance

  • Thapsigargin

MeSH Heading

  • Thapsigargin

Synonyms

  • Thapsigargin
  • UNII-Z96BQ26RZD

Systematic Name

  • Octanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-((2-methyl-1-oxo-2-butenyl)oxy)-2-oxo-4-(1-oxobutoxy)azuleno(4,5-b)furan-7-yl ester, (3S-(3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha))-

Registry Numbers

CAS Registry Number

  • 67526-95-8

FDA UNII

  • Z96BQ26RZD

System Generated Number

  • 0067526958

Structure Descriptors

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

InChIKey

IXFPJGBNCFXKPI-FSIHEZPISA-N

Smiles

CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(=C/C)\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C