Thapsigargin
(IXFPJGBNCFXKPI-FSIHEZPISA-N)
Structure
- SMILES
- CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C(=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCC)C
- Molecular Formula:
- C34H50O12
- Molecular Weight:
- 650.754
- Log P:
- 3.9279
- Hydrogen Bond Acceptor:
- 12
- Hydrogen Bond Donor:
- 2
- TPSA:
- 171.96
- CAS Number(s):
- 67526-95-8
Synonym(s)
1.
Thapsigargin
External Link(s)
| MeSH | D019284 |
| PubChem Compound | 446378 |
| BindingDB | 50035612 |
| ChEBI | 9516 93212 |
| CHEMBL | CHEMBL96926 |
| IUPHAR/BPS Guide to PHARMACOLOGY | 5351 |
| KEGG | cpd:C09561 |
| Therapeutic Target Database | D02KGR |
| ZINC | 8195655 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Retinal Neovascularization | 23544152 | CTD | |
| 2 | Skin Neoplasms | 24898257 | CTD |
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