Methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
| Internal ID | 757f35f5-b3f1-4a00-94af-7ea91fdbecbd |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H14N2O3/c1-26-21(25)14-10-13-11-6-2-4-8-15(11)23-19(13)20(24)17-12-7-3-5-9-16(12)22-18(14)17/h2-10,22-23H,1H3 |
| InChI Key | RLYAECUXPZNGJY-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C21H14N2O3 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.10044231 g/mol |
| Topological Polar Surface Area (TPSA) | 75.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of Methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/cd383770-8538-11ee-8250-e5d044cdf479.jpg "2D Structure of Methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-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 | 98.56% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.72% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.89% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 93.44% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.99% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.08% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 90.93% | 92.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.32% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.56% | 98.59% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 86.34% | 81.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.06% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.20% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.95% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.57% | 99.23% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.90% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.87% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.80% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.79% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.13% | 94.73% |
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.
| There are no matching plants. |
| PubChem | 10593388 |
| LOTUS | LTS0214454 |
| wikiData | Q105240598 |