5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-piperidine]-16-one
| Internal ID | 7c65da58-c2a2-4232-baf3-7cbb15d79069 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Spirosolanes and derivatives |
| IUPAC Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-piperidine]-16-one |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6=CC(=O)CCC56C)C)C)NC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6=CC(=O)CCC56C)C)C)NC1 |
| InChI | InChI=1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3 |
| InChI Key | XCAKPWXDUSEAEH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H41NO2 |
| Molecular Weight | 411.60 g/mol |
| Exact Mass | 411.313729551 g/mol |
| Topological Polar Surface Area (TPSA) | 38.30 Ų |
| XlogP | 5.30 |
| 17094-86-9 |
![2D Structure of 5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-piperidine]-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/5432dc80-8592-11ee-a485-55d41be9d538.jpg "2D Structure of 5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-piperidine]-16-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.58% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.56% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.22% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 94.35% | 96.43% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.20% | 91.11% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 92.35% | 94.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.84% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.37% | 93.40% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.96% | 85.30% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.05% | 93.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.80% | 82.69% |
| CHEMBL204 | P00734 | Thrombin | 82.41% | 96.01% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 82.05% | 97.63% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.46% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.20% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.11% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.84% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.70% | 99.23% |
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.
| Solanum aviculare |
| Solanum procumbens |
| PubChem | 3919026 |
| LOTUS | LTS0182695 |
| wikiData | Q105324856 |