6-[(1E)-3-methylbuta-1,3-dienyl]-1H-indole
| Internal ID | af89522d-870e-4cb0-88a0-57fcf68ca001 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 6-[(1E)-3-methylbuta-1,3-dienyl]-1H-indole |
| SMILES (Canonical) | CC(=C)C=CC1=CC2=C(C=C1)C=CN2 |
| SMILES (Isomeric) | CC(=C)/C=C/C1=CC2=C(C=C1)C=CN2 |
| InChI | InChI=1S/C13H13N/c1-10(2)3-4-11-5-6-12-7-8-14-13(12)9-11/h3-9,14H,1H2,2H3/b4-3+ |
| InChI Key | QIIFHOAHEFIPRF-ONEGZZNKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H13N |
| Molecular Weight | 183.25 g/mol |
| Exact Mass | 183.104799419 g/mol |
| Topological Polar Surface Area (TPSA) | 15.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 6-[(1E)-3-methylbuta-1,3-dienyl]-1H-indole](https://plantaedb.com/storage/docs/compounds/2023/11/6-1e-3-methylbuta-13-dienyl-1h-indole.jpg "2D Structure of 6-[(1E)-3-methylbuta-1,3-dienyl]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.68% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.52% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.31% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.32% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.37% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.00% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.91% | 90.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.51% | 83.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.94% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.93% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.82% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.33% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.52% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.14% | 97.79% |
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.
| Monodora tenuifolia |
| PubChem | 13697737 |
| LOTUS | LTS0075251 |
| wikiData | Q105221408 |