7-Ethyl-3-methyl-14-(4-methyl-5-oxooxolan-2-yl)-5-oxa-13-azatricyclo[11.2.1.02,6]hexadecane-4,8,16-trione
| Internal ID | 4d7d0583-f8cb-47cc-8033-f32728d532eb |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 7-ethyl-3-methyl-14-(4-methyl-5-oxooxolan-2-yl)-5-oxa-13-azatricyclo[11.2.1.02,6]hexadecane-4,8,16-trione |
| SMILES (Canonical) | CCC1C2C(C(C(=O)O2)C)C3CC(N(C3=O)CCCCC1=O)C4CC(C(=O)O4)C |
| SMILES (Isomeric) | CCC1C2C(C(C(=O)O2)C)C3CC(N(C3=O)CCCCC1=O)C4CC(C(=O)O4)C |
| InChI | InChI=1S/C22H31NO6/c1-4-13-16(24)7-5-6-8-23-15(17-9-11(2)21(26)28-17)10-14(20(23)25)18-12(3)22(27)29-19(13)18/h11-15,17-19H,4-10H2,1-3H3 |
| InChI Key | ZJENACWUVXKSHY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31NO6 |
| Molecular Weight | 405.50 g/mol |
| Exact Mass | 405.21513771 g/mol |
| Topological Polar Surface Area (TPSA) | 90.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 7-Ethyl-3-methyl-14-(4-methyl-5-oxooxolan-2-yl)-5-oxa-13-azatricyclo[11.2.1.02,6]hexadecane-4,8,16-trione](https://plantaedb.com/storage/docs/compounds/2023/11/3203ae80-8405-11ee-aa4c-1d678a31602d.jpg "2D Structure of 7-Ethyl-3-methyl-14-(4-methyl-5-oxooxolan-2-yl)-5-oxa-13-azatricyclo[11.2.1.02,6]hexadecane-4,8,16-trione")
| 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 | 99.27% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 92.96% | 91.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.32% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.15% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.18% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.55% | 86.33% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.18% | 94.66% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.36% | 96.77% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.55% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.47% | 95.89% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.23% | 92.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.66% | 93.40% |
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 sessilifolia |
| PubChem | 162881985 |
| LOTUS | LTS0211572 |
| wikiData | Q105377843 |