12-Ethyl-9-oxo-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaene-17-carbaldehyde
| Internal ID | 5bd3af10-7400-496e-9b79-a0ff4fed78e1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Aryl-aldehydes |
| IUPAC Name | 12-ethyl-9-oxo-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaene-17-carbaldehyde |
| SMILES (Canonical) | CCC12CCCN3C1=C(C=C3C=O)C4=CC=CC=C4NC(=O)CC2 |
| SMILES (Isomeric) | CCC12CCCN3C1=C(C=C3C=O)C4=CC=CC=C4NC(=O)CC2 |
| InChI | InChI=1S/C20H22N2O2/c1-2-20-9-5-11-22-14(13-23)12-16(19(20)22)15-6-3-4-7-17(15)21-18(24)8-10-20/h3-4,6-7,12-13H,2,5,8-11H2,1H3,(H,21,24) |
| InChI Key | SPTWAVJFKXKKPY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 51.10 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 12-Ethyl-9-oxo-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaene-17-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/77e6fe50-865f-11ee-8726-2521aca8e434.jpg "2D Structure of 12-Ethyl-9-oxo-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaene-17-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.10% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.74% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.34% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.24% | 92.97% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.82% | 86.33% |
| CHEMBL228 | P31645 | Serotonin transporter | 93.36% | 95.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.17% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.00% | 82.69% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.80% | 90.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.59% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.04% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.87% | 91.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.57% | 93.03% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.36% | 85.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.18% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.40% | 90.71% |
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.
To see more specific details click the taxa you are interested in.
| Kopsia singapurensis |
| PubChem | 11151423 |
| LOTUS | LTS0074507 |
| wikiData | Q105257588 |