2-methyl-4-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]but-2-en-1-ol
| Internal ID | 0ebe97ac-5eef-440f-a0ad-0157b96c5ea7 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 2-methyl-4-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]but-2-en-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H23NO/c1-13(2)7-9-15-5-4-6-17-16(11-19-18(15)17)10-8-14(3)12-20/h4-8,11,19-20H,9-10,12H2,1-3H3 |
| InChI Key | QPUMQAOJZCJHTO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO |
| Molecular Weight | 269.40 g/mol |
| Exact Mass | 269.177964357 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 2-methyl-4-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]but-2-en-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2-methyl-4-7-3-methylbut-2-enyl-1h-indol-3-ylbut-2-en-1-ol.jpg "2D Structure of 2-methyl-4-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]but-2-en-1-ol")
| 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 | 95.81% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.42% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.79% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.21% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.28% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.66% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.29% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.82% | 94.45% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.05% | 88.56% |
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 | 85431703 |
| LOTUS | LTS0077501 |
| wikiData | Q105225610 |