(1R,2S,3R,4R,6S)-3-ethyl-3'-methylspiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2',11-dione
| Internal ID | ceb92b8b-53fe-4104-88c4-76caf08dd13d |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stemoamide-type alkaloids |
| IUPAC Name | (1R,2S,3R,4R,6S)-3-ethyl-3'-methylspiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2',11-dione |
| SMILES (Canonical) | CCC1C2C3CCC(=O)N3CCCC2OC14C=C(C(=O)O4)C |
| SMILES (Isomeric) | CC[C@@H]1[C@H]2[C@H]3CCC(=O)N3CCC[C@@H]2O[C@]14C=C(C(=O)O4)C |
| InChI | InChI=1S/C17H23NO4/c1-3-11-15-12-6-7-14(19)18(12)8-4-5-13(15)21-17(11)9-10(2)16(20)22-17/h9,11-13,15H,3-8H2,1-2H3/t11-,12-,13+,15+,17+/m1/s1 |
| InChI Key | DVRWOSGUHQABHJ-UWRURVRSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.40 g/mol |
| Exact Mass | 305.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3R,4R,6S)-3-ethyl-3'-methylspiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2',11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bdecb2f0-8826-11ee-aa74-07e6f34b6f82.jpg "2D Structure of (1R,2S,3R,4R,6S)-3-ethyl-3'-methylspiro[5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,5'-furan]-2',11-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.40% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.38% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.57% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.29% | 93.99% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.12% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.27% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.94% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.77% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.73% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.17% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.06% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.82% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.77% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.59% | 93.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.21% | 93.40% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.15% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.97% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.90% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.89% | 100.00% |
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 | 163013285 |
| LOTUS | LTS0069908 |
| wikiData | Q104990311 |