Methyl 2'-ethyl-2'-hydroxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadeca-8(14),11-diene-15,5'-oxane]-12-carboxylate
| Internal ID | 8a3c2417-1576-4432-bf68-4ba4b3f9ca9f |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | methyl 2'-ethyl-2'-hydroxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadeca-8(14),11-diene-15,5'-oxane]-12-carboxylate |
| SMILES (Canonical) | CCC1(CCC2(CO1)C3CCC4=C5C2(CC(=C5CC4)C(=O)OC)CN(C3)C)O |
| SMILES (Isomeric) | CCC1(CCC2(CO1)C3CCC4=C5C2(CC(=C5CC4)C(=O)OC)CN(C3)C)O |
| InChI | InChI=1S/C23H33NO4/c1-4-23(26)10-9-21(14-28-23)16-7-5-15-6-8-17-18(20(25)27-3)11-22(21,19(15)17)13-24(2)12-16/h16,26H,4-14H2,1-3H3 |
| InChI Key | INNZHGHJFINUNM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33NO4 |
| Molecular Weight | 387.50 g/mol |
| Exact Mass | 387.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of Methyl 2'-ethyl-2'-hydroxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadeca-8(14),11-diene-15,5'-oxane]-12-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/3529df80-8595-11ee-a04a-0f1704e15328.jpg "2D Structure of Methyl 2'-ethyl-2'-hydroxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadeca-8(14),11-diene-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 | 99.19% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.05% | 95.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.63% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.34% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.16% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.97% | 92.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.83% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.34% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.04% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.03% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.86% | 99.23% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 83.78% | 98.57% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.03% | 97.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.95% | 98.59% |
| CHEMBL5028 | O14672 | ADAM10 | 82.43% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.32% | 94.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.28% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.34% | 95.89% |
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 gracile |
| Daphniphyllum subverticillatum |
| PubChem | 162922546 |
| LOTUS | LTS0191365 |
| wikiData | Q104401009 |