thapsigargin

Thapsigargin A potent skin irritating sesquiterpene lactone isolated from the roots of Thapsia garganica L. (Apiaceae). It also acts as a non-phorbol-ester-type tumor promoter which discharges intracellular Ca2+ stores by specific inhibition of the endoplasmic reticulum Ca(2+)-ATPase. (Biochem Pharmacol 1987;36(5):621-6; Proc Natl Acad Sci USA 1991;88(16):7096-100)

[1. a highly potent and selective inhibitor of sarcoendoplasmic reticulum family of Ca2+-ATPases used in research on intracellular calcium stores.

Molecular Formula: C₃₄H₅₀O₁₂

InChI: InChI=1/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-,26u,27?,28+,29?,32-,33-,34-/m0/s1

InChIKey: InChIKey=IXFPJGBNCFXKPI-XCGNRUKHBL
SMILES: CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O

Names:
    NSC299933
    thapsigargin
    67526-95-8

Registries:
    PubChem CID 5458629
    PubChem ID 8141009