1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
| Internal ID | d76717b4-173a-46ca-a204-c7b8e62ac402 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| SMILES (Canonical) | CCCC1C2=C(CCN1)C3=CC=CC=C3N2 |
| SMILES (Isomeric) | CCCC1C2=C(CCN1)C3=CC=CC=C3N2 |
| InChI | InChI=1S/C14H18N2/c1-2-5-13-14-11(8-9-15-13)10-6-3-4-7-12(10)16-14/h3-4,6-7,13,15-16H,2,5,8-9H2,1H3 |
| InChI Key | BBOAWHADGQBLBD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18N2 |
| Molecular Weight | 214.31 g/mol |
| Exact Mass | 214.146998583 g/mol |
| Topological Polar Surface Area (TPSA) | 27.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole](https://plantaedb.com/storage/docs/compounds/2023/11/1-propyl-2349-tetrahydro-1h-pyrido34-bindole.jpg "2D Structure of 1-propyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole")
| 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 | 95.22% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.40% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.31% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.85% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.52% | 91.11% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.44% | 98.59% |
| CHEMBL240 | Q12809 | HERG | 88.35% | 89.76% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 88.27% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.18% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.88% | 97.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.33% | 88.56% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 83.27% | 85.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.17% | 98.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.07% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.05% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.39% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.34% | 91.71% |
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 | 13514372 |
| LOTUS | LTS0094335 |
| wikiData | Q105310883 |