1'-Methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2',6-dione
| Internal ID | 735fd600-5e57-4b4c-8b46-158723bb2568 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | 1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2',6-dione |
| SMILES (Canonical) | CON1C2=CC=CC=C2C3(C1=O)CC4C5COC3CC5C(=O)N4 |
| SMILES (Isomeric) | CON1C2=CC=CC=C2C3(C1=O)CC4C5COC3CC5C(=O)N4 |
| InChI | InChI=1S/C17H18N2O4/c1-22-19-13-5-3-2-4-11(13)17(16(19)21)7-12-10-8-23-14(17)6-9(10)15(20)18-12/h2-5,9-10,12,14H,6-8H2,1H3,(H,18,20) |
| InChI Key | NYOUCYQUKYVTEY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H18N2O4 |
| Molecular Weight | 314.34 g/mol |
| Exact Mass | 314.12665706 g/mol |
| Topological Polar Surface Area (TPSA) | 67.90 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 1'-Methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2',6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1-methoxyspiro10-oxa-5-azatricyclo531048undecane-23-indole-26-dione.jpg "2D Structure of 1'-Methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2',6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.39% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.98% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.50% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.17% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.13% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.53% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.34% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.34% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.41% | 90.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.89% | 92.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.58% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.25% | 94.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.03% | 94.08% |
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 | 162401485 |
| LOTUS | LTS0069692 |
| wikiData | Q105187601 |