18-Ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene
| Internal ID | bc481d85-46a3-4498-b970-7e0d105324bd |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | 18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene |
| SMILES (Canonical) | CCC1C2CCN3C1C4(CC3)C(C2)NC5=CC=CC=C45 |
| SMILES (Isomeric) | CCC1C2CCN3C1C4(CC3)C(C2)NC5=CC=CC=C45 |
| InChI | InChI=1S/C18H24N2/c1-2-13-12-7-9-20-10-8-18(17(13)20)14-5-3-4-6-15(14)19-16(18)11-12/h3-6,12-13,16-17,19H,2,7-11H2,1H3 |
| InChI Key | REOQSGAZFGRGES-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H24N2 |
| Molecular Weight | 268.40 g/mol |
| Exact Mass | 268.193948774 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 18-Ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene](https://plantaedb.com/storage/docs/compounds/2023/11/18-ethyl-814-diazapentacyclo95201902701417octadeca-246-triene.jpg "2D Structure of 18-Ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene")
| 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 | 98.23% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.63% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.18% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.65% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.01% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.64% | 95.89% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.92% | 90.71% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.27% | 94.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.39% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.31% | 95.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.94% | 92.86% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.28% | 95.88% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.47% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 82.43% | 97.50% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.01% | 95.83% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.65% | 100.00% |
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.
| Aspidosperma tomentosum |
| PubChem | 162820605 |
| LOTUS | LTS0165197 |
| wikiData | Q105234993 |