16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide
| Internal ID | 4fede434-c775-498c-9804-462094ecfcc9 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives |
| IUPAC Name | [3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O)O |
| SMILES (Isomeric) | CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O)O |
| InChI | InChI=1S/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3 |
| InChI Key | IWCNCUVTGOMGKG-UHFFFAOYSA-N |
| Popularity | 20 references in papers |
| Molecular Formula | C25H36O6 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.90 |
| MLS002702028 |
| 465-15-6 |
| NSC148790 |
| [3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate |
| 3-Epioleandrigenin |
| OLENDRIGENIN |
| Oprea1_850530 |
| DTXSID60963586 |
| 508-20-3 |
| NCI60_001020 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.32% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.15% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 94.66% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.61% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.15% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.03% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.00% | 97.09% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.51% | 81.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.65% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.51% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.29% | 97.28% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.88% | 91.19% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.66% | 96.43% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.22% | 96.77% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.34% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.42% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Cryptostegia madagascariensis |
| Mandevilla pentlandiana |
| Nerium oleander |
| PubChem | 288101 |
| LOTUS | LTS0069953 |
| wikiData | Q105121493 |