5-[(E)-2-[(1S,2S)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole
| Internal ID | c66a61d5-7415-4be2-a63d-3d8f8844e855 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 5-[(E)-2-[(1S,2S)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H42N2/c1-9-34(4,5)30-22-37-32-13-11-25(20-27(30)32)16-18-36(8)17-15-24(3)19-29(36)26-12-14-33-28(21-26)31(23-38-33)35(6,7)10-2/h9-14,16,18-23,29,37-38H,1-2,15,17H2,3-8H3/b18-16+/t29-,36+/m1/s1 |
| InChI Key | SYOHATBHOYMGBM-QDKTTXQISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H42N2 |
| Molecular Weight | 502.70 g/mol |
| Exact Mass | 502.334799348 g/mol |
| Topological Polar Surface Area (TPSA) | 31.60 Ų |
| XlogP | 10.40 |
| There are no found synonyms. |
![2D Structure of 5-[(E)-2-[(1S,2S)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole](https://plantaedb.com/storage/docs/compounds/2023/11/6a2a7be0-868d-11ee-a5c4-197120c0cbf4.jpg "2D Structure of 5-[(E)-2-[(1S,2S)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.82% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.33% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.10% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.87% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.60% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.34% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.89% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.78% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.67% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.79% | 100.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 91.42% | 85.49% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.16% | 92.97% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.96% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.78% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.04% | 91.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.96% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.81% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.87% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.16% | 94.62% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.89% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.82% | 85.30% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 83.80% | 95.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.22% | 98.95% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.28% | 80.96% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 82.21% | 98.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.09% | 96.39% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.77% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.04% | 97.05% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.97% | 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.
| Isolona cauliflora |
| PubChem | 163189388 |
| LOTUS | LTS0123528 |
| wikiData | Q105263700 |