16-Ethyl-12-methyl-8-(4-methyl-5-oxooxolan-2-yl)-14-oxa-7-azatetracyclo[8.6.0.01,7.011,15]hexadec-10-ene-2,13-dione
| Internal ID | 2330cfea-c84e-49a4-b244-222bc89133d3 |
| Taxonomy | Organoheterocyclic compounds > Azepanes |
| IUPAC Name | 16-ethyl-12-methyl-8-(4-methyl-5-oxooxolan-2-yl)-14-oxa-7-azatetracyclo[8.6.0.01,7.011,15]hexadec-10-ene-2,13-dione |
| SMILES (Canonical) | CCC1C2C(=C3C14C(=O)CCCCN4C(C3)C5CC(C(=O)O5)C)C(C(=O)O2)C |
| SMILES (Isomeric) | CCC1C2C(=C3C14C(=O)CCCCN4C(C3)C5CC(C(=O)O5)C)C(C(=O)O2)C |
| InChI | InChI=1S/C22H29NO5/c1-4-13-19-18(12(3)21(26)28-19)14-10-15(16-9-11(2)20(25)27-16)23-8-6-5-7-17(24)22(13,14)23/h11-13,15-16,19H,4-10H2,1-3H3 |
| InChI Key | AZQNIKXQKXTZDF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H29NO5 |
| Molecular Weight | 387.50 g/mol |
| Exact Mass | 387.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 16-Ethyl-12-methyl-8-(4-methyl-5-oxooxolan-2-yl)-14-oxa-7-azatetracyclo[8.6.0.01,7.011,15]hexadec-10-ene-2,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/13417230-83a2-11ee-ba8f-b3e51e59aad5.jpg "2D Structure of 16-Ethyl-12-methyl-8-(4-methyl-5-oxooxolan-2-yl)-14-oxa-7-azatetracyclo[8.6.0.01,7.011,15]hexadec-10-ene-2,13-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.26% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.20% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.61% | 98.95% |
| CHEMBL204 | P00734 | Thrombin | 93.16% | 96.01% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.03% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.32% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.28% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.92% | 86.33% |
| CHEMBL4801 | P29466 | Caspase-1 | 86.37% | 96.85% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.92% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.10% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.89% | 91.11% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.33% | 93.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.21% | 93.99% |
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.
| Stemona tuberosa |
| PubChem | 163035810 |
| LOTUS | LTS0071070 |
| wikiData | Q104921874 |