Thapsigargin

Basic Information

CAS ID: 67526-95-8
Molecular Formula: C34H50O12
Molecular Weight: 650.8 g/mol
Monoisotopic Mass: 650.3302 g/mol
Class: Small Molecule
Natural Product: No
Other Names: Thapsigargin
Analysis: Drug repositioning mechanism analysis

O O O O O O OH HO O O O O

Compound Structure and Identifier

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 See All
InChI Key: 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 See All
Molfile: Download

Related Target

Target ID Name Interaction
T1055 Calcium pump inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 11984593 Target ID T1055
Uniprot ID Calcium pump Name Calcium pump
Model vitro Fibrosis Disease Cystic fibrosis
Process I
Process II
Process III
Mechanism

Related Link

PubChem: 446378
ChEMBL: CHEMBL96926