(2-Ethyl-1'-methoxy-2'-oxospiro[4,11-dioxa-6-azatetracyclo[8.3.1.02,6.07,13]tetradecane-9,3'-indole]-14-yl) acetate
| Internal ID | df7c457c-0006-44c2-8352-12f7d97965ae |
| Taxonomy | Alkaloids and derivatives > Gelsemium alkaloids |
| IUPAC Name | (2-ethyl-1'-methoxy-2'-oxospiro[4,11-dioxa-6-azatetracyclo[8.3.1.02,6.07,13]tetradecane-9,3'-indole]-14-yl) acetate |
| SMILES (Canonical) | CCC12COCN1C3CC4(C5C(C2C3CO5)OC(=O)C)C6=CC=CC=C6N(C4=O)OC |
| SMILES (Isomeric) | CCC12COCN1C3CC4(C5C(C2C3CO5)OC(=O)C)C6=CC=CC=C6N(C4=O)OC |
| InChI | InChI=1S/C23H28N2O6/c1-4-22-11-29-12-24(22)17-9-23(15-7-5-6-8-16(15)25(28-3)21(23)27)20-19(31-13(2)26)18(22)14(17)10-30-20/h5-8,14,17-20H,4,9-12H2,1-3H3 |
| InChI Key | OCVCPCUBMNGUPR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28N2O6 |
| Molecular Weight | 428.50 g/mol |
| Exact Mass | 428.19473662 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (2-Ethyl-1'-methoxy-2'-oxospiro[4,11-dioxa-6-azatetracyclo[8.3.1.02,6.07,13]tetradecane-9,3'-indole]-14-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/bfe5fb70-85e4-11ee-8171-9973273d0f2c.jpg "2D Structure of (2-Ethyl-1'-methoxy-2'-oxospiro[4,11-dioxa-6-azatetracyclo[8.3.1.02,6.07,13]tetradecane-9,3'-indole]-14-yl) acetate")
| 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 | 98.49% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.41% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.67% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.35% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.93% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.40% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.80% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.82% | 82.69% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.51% | 94.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.30% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.70% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.20% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.66% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 83.52% | 97.50% |
| CHEMBL204 | P00734 | Thrombin | 82.56% | 96.01% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.96% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.35% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.39% | 95.50% |
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 | 163031782 |
| LOTUS | LTS0120653 |
| wikiData | Q105189614 |