(15R,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
| Internal ID | c4132a8a-c666-48e0-8af3-c64fda20378e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (15R,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene |
| SMILES (Canonical) | CCC1CC2CCC3=C(CCN(C2)C1)C4=CC=CC=C4N3 |
| SMILES (Isomeric) | CC[C@@H]1C[C@H]2CCC3=C(CCN(C2)C1)C4=CC=CC=C4N3 |
| InChI | InChI=1S/C19H26N2/c1-2-14-11-15-7-8-19-17(9-10-21(12-14)13-15)16-5-3-4-6-18(16)20-19/h3-6,14-15,20H,2,7-13H2,1H3/t14-,15-/m1/s1 |
| InChI Key | KFWYCGGJKBFGRT-HUUCEWRRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H26N2 |
| Molecular Weight | 282.40 g/mol |
| Exact Mass | 282.209598838 g/mol |
| Topological Polar Surface Area (TPSA) | 19.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (15R,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/15r17r-17-ethyl-111-diazatetracyclo133104120510nonadeca-412579-tetraene.jpg "2D Structure of (15R,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.40% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.42% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.08% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.15% | 91.11% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 93.48% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.43% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.92% | 97.25% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 91.99% | 94.23% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 90.79% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.91% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.06% | 94.45% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.07% | 95.51% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.30% | 88.56% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 86.22% | 97.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.64% | 98.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.49% | 94.08% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.57% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.45% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.32% | 98.59% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.80% | 94.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.66% | 93.99% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.72% | 90.08% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.11% | 95.88% |
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.
| Tabernaemontana eglandulosa |
| PubChem | 101749635 |
| LOTUS | LTS0078177 |
| wikiData | Q105140593 |