8-(3-methylbut-2-enyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Internal ID | 2f65beb9-98eb-483b-9819-9341dd173e1a |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 8-(3-methylbut-2-enyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H20N2O2/c1-10(2)6-7-11-4-3-5-12-13-8-14(17(20)21)18-9-15(13)19-16(11)12/h3-6,14,18-19H,7-9H2,1-2H3,(H,20,21) |
| InChI Key | VQSWVFALFFYCMJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20N2O2 |
| Molecular Weight | 284.35 g/mol |
| Exact Mass | 284.152477885 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 8-(3-methylbut-2-enyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8-3-methylbut-2-enyl-2349-tetrahydro-1h-pyrido34-bindole-3-carboxylic-acid.jpg "2D Structure of 8-(3-methylbut-2-enyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid")
| 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 | 95.88% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.16% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.96% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.85% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.70% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.68% | 90.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.22% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.27% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.11% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.84% | 98.59% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.40% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.89% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.73% | 85.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.09% | 96.39% |
| CHEMBL5028 | O14672 | ADAM10 | 83.96% | 97.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.51% | 91.49% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.60% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 162896310 |
| LOTUS | LTS0131587 |
| wikiData | Q104199702 |