(1R,2S,4S,7E,8R,9S)-7-ethylidene-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-2'-one
| Internal ID | 3640beb3-35ae-4650-ba83-5a02635085c2 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (1R,2S,4S,7E,8R,9S)-7-ethylidene-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-2'-one |
| SMILES (Canonical) | CC=C1CN(C2CC3(C4CC1C2CO4)C5=CC=CC=C5NC3=O)C |
| SMILES (Isomeric) | C/C=C\1/CN([C@H]2C[C@@]3([C@H]4C[C@@H]1[C@@H]2CO4)C5=CC=CC=C5NC3=O)C |
| InChI | InChI=1S/C20H24N2O2/c1-3-12-10-22(2)17-9-20(18-8-13(12)14(17)11-24-18)15-6-4-5-7-16(15)21-19(20)23/h3-7,13-14,17-18H,8-11H2,1-2H3,(H,21,23)/b12-3-/t13-,14-,17-,18+,20-/m0/s1 |
| InChI Key | IXIZTCDEVAKIBV-LQBHTWSZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O2 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 41.60 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1R,2S,4S,7E,8R,9S)-7-ethylidene-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/73c47be0-843e-11ee-9ba0-17ec6a75e4ee.jpg "2D Structure of (1R,2S,4S,7E,8R,9S)-7-ethylidene-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-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 | 97.82% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.39% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.46% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.59% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.03% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.23% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.85% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.29% | 85.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.72% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.40% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.70% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.33% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.89% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.39% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.44% | 93.03% |
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.
| Gelsemium elegans |
| PubChem | 163188162 |
| LOTUS | LTS0091343 |
| wikiData | Q105122202 |