cucurbitacin E
(NDYMQXYDSVBNLL-MUYMLXPFSA-N)
Structure
- SMILES
- CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C=C(O)C(=O)C2(C)C)C)C)(O)C)(C)C
- Molecular Formula:
- C32H44O8
- Molecular Weight:
- 556.687
- Log P:
- 4.1902
- Hydrogen Bond Acceptor:
- 8
- Hydrogen Bond Donor:
- 3
- TPSA:
- 138.2
- CAS Number(s):
- 18444-66-1
Synonym(s)
1.
cucurbitacin E
2.
NSC 106399
3.
NSC-106399
External Link(s)
| MeSH | C102326 |
| PubChem Compound | 5281319 |
| ChEBI | 3944 |
| CHEMBL | CHEMBL455056 |
| KEGG | cpd:C08797 |
| ZINC | 4097800 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chemical and Drug Induced Liver Injury | 27363783 | CTD | |
| 2 | Liver Cirrhosis, Experimental | 27363783 | CTD | |
| 3 | Neoplasms | 23194827 | CTD |
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