1-(1H-indol-6-yl)-3-methylbutan-1-one
| Internal ID | c73cadba-2cc1-42a0-b187-97b9c33dcebb |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Butyrophenones |
| IUPAC Name | 1-(1H-indol-6-yl)-3-methylbutan-1-one |
| SMILES (Canonical) | CC(C)CC(=O)C1=CC2=C(C=C1)C=CN2 |
| SMILES (Isomeric) | CC(C)CC(=O)C1=CC2=C(C=C1)C=CN2 |
| InChI | InChI=1S/C13H15NO/c1-9(2)7-13(15)11-4-3-10-5-6-14-12(10)8-11/h3-6,8-9,14H,7H2,1-2H3 |
| InChI Key | CDRSMAVDSFMYBG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.26 g/mol |
| Exact Mass | 201.115364102 g/mol |
| Topological Polar Surface Area (TPSA) | 32.90 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
| 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 | 94.70% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.62% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.93% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.69% | 91.11% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.01% | 83.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.73% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.50% | 90.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.95% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.52% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.06% | 97.21% |
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.
| Spermacoce verticillata |
| PubChem | 130015562 |
| LOTUS | LTS0070012 |
| wikiData | Q104955099 |