3-(3-methylbut-2-enylidene)-1H-indol-2-one
| Internal ID | 3db838bd-680c-4627-8166-deceefd9554d |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolines |
| IUPAC Name | 3-(3-methylbut-2-enylidene)-1H-indol-2-one |
| SMILES (Canonical) | CC(=CC=C1C2=CC=CC=C2NC1=O)C |
| SMILES (Isomeric) | CC(=CC=C1C2=CC=CC=C2NC1=O)C |
| InChI | InChI=1S/C13H13NO/c1-9(2)7-8-11-10-5-3-4-6-12(10)14-13(11)15/h3-8H,1-2H3,(H,14,15) |
| InChI Key | QZLGVPXIVRIGBA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H13NO |
| Molecular Weight | 199.25 g/mol |
| Exact Mass | 199.099714038 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 2.90 |
| 67987-50-2 |
| DTXSID00413217 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.01% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.90% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.92% | 94.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.75% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.33% | 82.69% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.77% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.64% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.30% | 94.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.10% | 92.88% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.07% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.38% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.28% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.76% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.07% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.58% | 99.23% |
| CHEMBL4237 | O75582 | Ribosomal protein S6 kinase alpha 5 | 80.54% | 91.00% |
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.
| Actaea dahurica |
| PubChem | 5249879 |
| LOTUS | LTS0221489 |
| wikiData | Q82221122 |