Methyl 2'-ethyl-2'-methoxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate
| Internal ID | 8e7711b9-6fce-4084-ad2b-7167581e3a47 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | methyl 2'-ethyl-2'-methoxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate |
| SMILES (Canonical) | CCC1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)OC |
| SMILES (Isomeric) | CCC1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)OC |
| InChI | InChI=1S/C24H37NO4/c1-5-24(28-4)11-10-22(15-29-24)17-8-6-16-7-9-18-19(21(26)27-3)12-23(22,20(16)18)14-25(2)13-17/h17-19H,5-15H2,1-4H3 |
| InChI Key | PHYQKWIULCXYSF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H37NO4 |
| Molecular Weight | 403.60 g/mol |
| Exact Mass | 403.27225866 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of Methyl 2'-ethyl-2'-methoxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/59db9cb0-8606-11ee-86f5-651a5963dfff.jpg "2D Structure of Methyl 2'-ethyl-2'-methoxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate")
| 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 | 99.02% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.65% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.51% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.43% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.39% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.43% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.77% | 95.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.94% | 95.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.95% | 82.69% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 84.45% | 96.76% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.27% | 94.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.60% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.43% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.31% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.19% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.03% | 94.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.73% | 97.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.71% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.07% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.75% | 100.00% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 80.26% | 98.57% |
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.
| Daphniphyllum himalayense |
| Daphniphyllum macropodum |
| Daphniphyllum subverticillatum |
| PubChem | 162946384 |
| LOTUS | LTS0039466 |
| wikiData | Q105209311 |