Strospeside 16-acetate
| Internal ID | ba557296-aed5-43b3-9e29-674dedd91a8b |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives > Cardenolide glycosides and derivatives |
| IUPAC Name | [3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-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) | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O |
| InChI | InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3 |
| InChI Key | UZQOZJNEDXAJEZ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C32H48O10 |
| Molecular Weight | 592.70 g/mol |
| Exact Mass | 592.32474772 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 1.40 |
| 4420-67-1 |
| DTXSID60963187 |
| NSC255063 |
| AKOS024434822 |
| AKOS032948803 |
| NSC-255063 |
| [3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-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 |
| 16-(Acetyloxy)-3-[(6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.02% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.33% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.18% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.02% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.95% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.94% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.12% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.64% | 92.94% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.13% | 81.11% |
| CHEMBL204 | P00734 | Thrombin | 88.93% | 96.01% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.25% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.96% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.15% | 92.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.55% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.19% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.19% | 95.89% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.61% | 97.36% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.43% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.13% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.81% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 81.56% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.52% | 82.69% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.20% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.90% | 98.95% |
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.
| Adenium obesum |
| Nerium oleander |
| PubChem | 199571 |
| LOTUS | LTS0150989 |
| wikiData | Q82945006 |