Methyl 15-ethenyl-14-oxa-1,10-diazapentacyclo[13.3.1.03,11.04,9.012,16]nonadeca-3(11),4,6,8-tetraene-12-carboxylate
| Internal ID | f2d5ac5e-4b93-481b-bc6c-1443d5a789f6 |
| Taxonomy | Alkaloids and derivatives > Vallesaman alkaloids |
| IUPAC Name | methyl 15-ethenyl-14-oxa-1,10-diazapentacyclo[13.3.1.03,11.04,9.012,16]nonadeca-3(11),4,6,8-tetraene-12-carboxylate |
| SMILES (Canonical) | COC(=O)C12COC3(C1CCN(C3)CC4=C2NC5=CC=CC=C45)C=C |
| SMILES (Isomeric) | COC(=O)C12COC3(C1CCN(C3)CC4=C2NC5=CC=CC=C45)C=C |
| InChI | InChI=1S/C20H22N2O3/c1-3-19-11-22-9-8-16(19)20(12-25-19,18(23)24-2)17-14(10-22)13-6-4-5-7-15(13)21-17/h3-7,16,21H,1,8-12H2,2H3 |
| InChI Key | VQGKYGKANOEJCY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N2O3 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 54.60 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of Methyl 15-ethenyl-14-oxa-1,10-diazapentacyclo[13.3.1.03,11.04,9.012,16]nonadeca-3(11),4,6,8-tetraene-12-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/8be750b0-85c0-11ee-8529-03d21ee8369c.jpg "2D Structure of Methyl 15-ethenyl-14-oxa-1,10-diazapentacyclo[13.3.1.03,11.04,9.012,16]nonadeca-3(11),4,6,8-tetraene-12-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.88% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.40% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.68% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.97% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 89.53% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.47% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.89% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.73% | 89.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.94% | 94.08% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.03% | 96.39% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.30% | 98.59% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.76% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.16% | 91.19% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.55% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.15% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.82% | 88.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.27% | 98.75% |
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.
| Alstonia angustiloba |
| Alstonia congensis |
| PubChem | 13891901 |
| LOTUS | LTS0120731 |
| wikiData | Q104394233 |