6-Ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
| Internal ID | d67ffb8d-b3d4-4030-9084-80e9f465a413 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | 6-ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one |
| SMILES (Canonical) | CCC1=NC2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)OC)N(C3=O)OC |
| SMILES (Isomeric) | CCC1=NC2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)OC)N(C3=O)OC |
| InChI | InChI=1S/C20H24N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,16,18H,4,8-10H2,1-3H3 |
| InChI Key | RAZGPSCTQURVQO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O4 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.17360725 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 6-Ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-ethyl-16-dimethoxyspiro10-oxa-5-azatricyclo531048undec-5-ene-23-indole-2-one.jpg "2D Structure of 6-Ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-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 | 98.53% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.43% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.08% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.61% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.48% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.41% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.81% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.06% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.25% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.67% | 95.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.81% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.06% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.76% | 85.14% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.22% | 91.96% |
| CHEMBL240 | Q12809 | HERG | 81.96% | 89.76% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.51% | 92.67% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.33% | 95.71% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.65% | 96.12% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.02% | 96.00% |
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 elegans |
| Gelsemium sempervirens |
| PubChem | 74930287 |
| LOTUS | LTS0061581 |
| wikiData | Q105232981 |