7-Ethyl-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
| Internal ID | 006889ab-089d-412b-9a52-5ef3f815e523 |
| Taxonomy | Alkaloids and derivatives > Gelsemium alkaloids |
| IUPAC Name | 7-ethyl-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one |
| SMILES (Canonical) | CCC1CNC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC |
| SMILES (Isomeric) | CCC1CNC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC |
| InChI | InChI=1S/C20H26N2O3/c1-3-12-10-21-16-9-20(18-8-13(12)14(16)11-25-18)15-6-4-5-7-17(15)22(24-2)19(20)23/h4-7,12-14,16,18,21H,3,8-11H2,1-2H3 |
| InChI Key | SAJWGFXMIQVKFI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26N2O3 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.19434270 g/mol |
| Topological Polar Surface Area (TPSA) | 50.80 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 7-Ethyl-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-ethyl-1-methoxyspiro11-oxa-5-azatricyclo631049dodecane-23-indole-2-one.jpg "2D Structure of 7-Ethyl-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.16% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.28% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.71% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.56% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.55% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.21% | 98.59% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.45% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.83% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.59% | 97.14% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 84.49% | 96.06% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.76% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.53% | 99.23% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.07% | 92.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.99% | 82.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.77% | 94.00% |
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.
| Gelsemium rankinii |
| PubChem | 163049342 |
| LOTUS | LTS0019514 |
| wikiData | Q105248921 |