3-Ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-diene-4,5'-furan]-2'-one
| Internal ID | 81f1a15a-2c24-4df9-8a95-c7db4fee5df5 |
| Taxonomy | Alkaloids and derivatives > Stemona alkaloids > Stemoamide-type alkaloids > Stichoneurine-type alkaloids |
| IUPAC Name | 3-ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-diene-4,5'-furan]-2'-one |
| SMILES (Canonical) | CCC1C2C(CCCN3C2=CC=C3C4CC(C(=O)O4)C)OC15C=C(C(=O)O5)C |
| SMILES (Isomeric) | CCC1C2C(CCCN3C2=CC=C3C4CC(C(=O)O4)C)OC15C=C(C(=O)O5)C |
| InChI | InChI=1S/C22H27NO5/c1-4-14-19-16-8-7-15(18-10-12(2)20(24)26-18)23(16)9-5-6-17(19)27-22(14)11-13(3)21(25)28-22/h7-8,11-12,14,17-19H,4-6,9-10H2,1-3H3 |
| InChI Key | KKSONBBSOWYZHQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H27NO5 |
| Molecular Weight | 385.50 g/mol |
| Exact Mass | 385.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 3-Ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-diene-4,5'-furan]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/436e0200-855a-11ee-843d-459066f123a2.jpg "2D Structure of 3-Ethyl-3'-methyl-11-(4-methyl-5-oxooxolan-2-yl)spiro[5-oxa-10-azatricyclo[8.3.0.02,6]trideca-1(13),11-diene-4,5'-furan]-2'-one")
| 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 | 94.02% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.66% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.09% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.52% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.35% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.95% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.99% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.88% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.80% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.17% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.42% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.37% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.78% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.47% | 90.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.28% | 86.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.20% | 82.38% |
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 | 73122749 |
| LOTUS | LTS0126553 |
| wikiData | Q105142345 |