Products 4589-95-1
CAS 4589-95-1 is the registry number for Deacetyltanghinin. Offered by: MedChemExpress. Available pack sizes: Get quote.
Deacetyltanghinin is a cardenolide glycoside that is the deacetyl derivative of tanghinin. Isolated from Cerbera manghas, it exhibits cytotoxic activities against oral human epidermoid carcinoma (KB), human breast cancer cell (BC) and human small cells lung cancer. It has a role as a metabolite and an antineoplastic agent. It is an epoxy steroid, a tertiary alcohol, a cardenolide glycoside and a monosaccharide derivative. It is functionally related to a tanghinigenin.
Source: ChEBI
| Molecular formula | C30H44O9 |
|---|---|
| Molecular weight | 548.7 g/mol |
| IUPAC name | 3-[(1R,3S,5S,7S,10S,11R,14R,15R,18R)-7-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one |
| InChIKey | LVGNJQMAMYJAIL-FWMNQDIBSA-N |
| SMILES | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@]46[C@@H](O6)C[C@@H]3C2)O)C7=CC(=O)OC7)C)C)O)OC)O |
Computed by PubChem (NCBI)