(1S,2S,4S,8S,9R)-7-ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
| Internal ID | da962f0e-5ef4-4e0d-b51d-5964de307aa9 |
| Taxonomy | Alkaloids and derivatives > Gelsemium alkaloids |
| IUPAC Name | (1S,2S,4S,8S,9R)-7-ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24N2O4/c1-3-11-9-21-16-8-20(18-7-13(11)14(16)10-26-18)15-5-4-12(23)6-17(15)22(25-2)19(20)24/h3-6,13-14,16,18,21,23H,7-10H2,1-2H3/t13-,14-,16+,18+,20+/m1/s1 |
| InChI Key | FALAMCOLIJTCTR-XQRBHQRSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24N2O4 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.17360725 g/mol |
| Topological Polar Surface Area (TPSA) | 71.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1S,2S,4S,8S,9R)-7-ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/5779cc70-8433-11ee-82cd-451555444291.jpg "2D Structure of (1S,2S,4S,8S,9R)-7-ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.34% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.78% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.76% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.56% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.83% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.87% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.47% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.13% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.93% | 91.19% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.78% | 97.28% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.91% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.78% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.60% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.22% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.90% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.50% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.53% | 99.23% |
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 | 137705913 |
| LOTUS | LTS0080059 |
| wikiData | Q104992309 |