(1S,2S,5R,6R,8S,9R,11S)-5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one
| Internal ID | ac10a5b8-7cfe-499b-a7f6-01b56e8565fa |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (1S,2S,5R,6R,8S,9R,11S)-5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one |
| SMILES (Canonical) | CN1CC2(C3CC4C5(CC2C1C3O4)C6=CC=CC=C6NC5=O)C=C |
| SMILES (Isomeric) | CN1C[C@]2([C@@H]3C[C@@H]4[C@]5(C[C@H]2[C@H]1[C@H]3O4)C6=CC=CC=C6NC5=O)C=C |
| InChI | InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-13(19)9-20(15-8-12(19)17(16)24-15)11-6-4-5-7-14(11)21-18(20)23/h3-7,12-13,15-17H,1,8-10H2,2H3,(H,21,23)/t12-,13+,15-,16+,17+,19+,20+/m1/s1 |
| InChI Key | VJWIXTLPDOVKPN-HWEAVLHDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 41.60 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1S,2S,5R,6R,8S,9R,11S)-5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/da50b930-8658-11ee-94d2-1d31c4927bd7.jpg "2D Structure of (1S,2S,5R,6R,8S,9R,11S)-5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.91% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.95% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.84% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.41% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.81% | 97.25% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 87.11% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.69% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.16% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.01% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.29% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.95% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.03% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.87% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.70% | 97.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.43% | 96.39% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.14% | 94.62% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.47% | 95.48% |
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 | 162976207 |
| LOTUS | LTS0196167 |
| wikiData | Q105287560 |