Methyl 11,15-dimethyl-19-oxa-17-azaheptacyclo[12.6.1.01,11.04,20.07,20.010,18.017,21]henicosane-3-carboxylate
| Internal ID | c2e2e1dc-7923-4117-9f3e-02b41ee8f58c |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | methyl 11,15-dimethyl-19-oxa-17-azaheptacyclo[12.6.1.01,11.04,20.07,20.010,18.017,21]henicosane-3-carboxylate |
| SMILES (Canonical) | CC1CN2C3C1CCC4(C35CC(C6C57C(CC6)CCC4C2O7)C(=O)OC)C |
| SMILES (Isomeric) | CC1CN2C3C1CCC4(C35CC(C6C57C(CC6)CCC4C2O7)C(=O)OC)C |
| InChI | InChI=1S/C23H33NO3/c1-12-11-24-18-14(12)8-9-21(2)17-7-5-13-4-6-16-15(20(25)26-3)10-22(18,21)23(13,16)27-19(17)24/h12-19H,4-11H2,1-3H3 |
| InChI Key | CEQVGXCTIZDWKR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33NO3 |
| Molecular Weight | 371.50 g/mol |
| Exact Mass | 371.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of Methyl 11,15-dimethyl-19-oxa-17-azaheptacyclo[12.6.1.01,11.04,20.07,20.010,18.017,21]henicosane-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/5c8d34c0-84b9-11ee-82fc-25f97639852b.jpg "2D Structure of Methyl 11,15-dimethyl-19-oxa-17-azaheptacyclo[12.6.1.01,11.04,20.07,20.010,18.017,21]henicosane-3-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 | 98.80% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 89.58% | 96.01% |
| CHEMBL240 | Q12809 | HERG | 89.51% | 89.76% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.32% | 97.14% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.49% | 94.78% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.48% | 91.11% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.64% | 98.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.58% | 82.69% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.21% | 89.05% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 86.06% | 94.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.93% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.54% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.15% | 91.19% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.72% | 95.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.59% | 96.43% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.90% | 97.31% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.78% | 96.61% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.60% | 93.04% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.48% | 95.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.24% | 97.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.18% | 91.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.44% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.72% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.28% | 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.
| Daphniphyllum calycinum |
| PubChem | 73112339 |
| LOTUS | LTS0097508 |
| wikiData | Q104955961 |