1-[6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]ethanone
| Internal ID | 60c1af18-3ebb-4695-b311-448253c4b65e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 1-[6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]ethanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H23BrN2O/c1-6-17(3,4)18-9-10-20(5)16(18)21(12(2)22)15-11-13(19)7-8-14(15)18/h6-8,11,16H,1,9-10H2,2-5H3 |
| InChI Key | FDLDLVGSFPJRLS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23BrN2O |
| Molecular Weight | 363.30 g/mol |
| Exact Mass | 362.09938 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 1-[6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-6-bromo-3-methyl-8b-2-methylbut-3-en-2-yl-23a-dihydro-1h-pyrrolo23-bindol-4-ylethanone.jpg "2D Structure of 1-[6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]ethanone")
| 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 | 98.02% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.95% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.40% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 92.26% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.64% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.15% | 90.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.68% | 93.04% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.42% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.82% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.61% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.19% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.89% | 93.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.86% | 91.03% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.72% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.47% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.17% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.90% | 95.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.78% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.46% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 80.24% | 97.50% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.14% | 93.65% |
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.
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| There are no matching plants. |
| PubChem | 75069079 |
| LOTUS | LTS0075168 |
| wikiData | Q104993635 |