6-Ethyl-11-hydroxy-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
| Internal ID | 2ddd110a-9aa6-47d9-9fc6-303d50d9e5f7 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | 6-ethyl-11-hydroxy-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one |
| SMILES (Canonical) | CCC1=NC2CC3(C4C(C1C2CO4)O)C5=C(C=C(C=C5)OC)N(C3=O)OC |
| SMILES (Isomeric) | CCC1=NC2CC3(C4C(C1C2CO4)O)C5=C(C=C(C=C5)OC)N(C3=O)OC |
| InChI | InChI=1S/C20H24N2O5/c1-4-13-16-11-9-27-18(17(16)23)20(8-14(11)21-13)12-6-5-10(25-2)7-15(12)22(26-3)19(20)24/h5-7,11,14,16-18,23H,4,8-9H2,1-3H3 |
| InChI Key | VXQDOSKGLXGDFW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O5 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 80.60 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 6-Ethyl-11-hydroxy-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/a5ee2e60-841b-11ee-a016-8383a9f81839.jpg "2D Structure of 6-Ethyl-11-hydroxy-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 | 99.10% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.40% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.83% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.73% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.71% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.07% | 93.40% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.77% | 95.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.57% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.89% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.53% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.18% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.00% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.84% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.89% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.33% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.98% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.78% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.30% | 99.17% |
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 | 85402771 |
| LOTUS | LTS0083178 |
| wikiData | Q105298692 |