Methyl 14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10,12(21),14-hexaene-10-carboxylate
| Internal ID | 87b9d124-8aac-4de4-8898-998f746682a8 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | methyl 14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10,12(21),14-hexaene-10-carboxylate |
| SMILES (Canonical) | CCC1=CN2CCC34C2CC1C5=C3N(C6=CC=CC=C46)C(=O)C(=C5)C(=O)OC |
| SMILES (Isomeric) | CCC1=CN2CCC34C2CC1C5=C3N(C6=CC=CC=C46)C(=O)C(=C5)C(=O)OC |
| InChI | InChI=1S/C23H22N2O3/c1-3-13-12-24-9-8-23-17-6-4-5-7-18(17)25-20(23)15(14(13)11-19(23)24)10-16(21(25)26)22(27)28-2/h4-7,10,12,14,19H,3,8-9,11H2,1-2H3 |
| InChI Key | OJPKTXCBMCNJHG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22N2O3 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of Methyl 14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10,12(21),14-hexaene-10-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/afea5d40-84a1-11ee-bb06-ed6a5658ce7e.jpg "2D Structure of Methyl 14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10,12(21),14-hexaene-10-carboxylate")
| 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 | 99.50% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.43% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.23% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.44% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.27% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.71% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.24% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.83% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.53% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 86.19% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.55% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.28% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.88% | 91.07% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.86% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.74% | 92.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.62% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.32% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.26% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.80% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.60% | 82.69% |
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.
| Leuconotis griffithii |
| PubChem | 75058225 |
| LOTUS | LTS0023950 |
| wikiData | Q105193207 |