Methyl 4-(16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl)-4-oxobutanoate
| Internal ID | 3e53866d-5d00-4412-8c58-643eef703464 |
| Taxonomy | Organoheterocyclic compounds > Phenanthrolines |
| IUPAC Name | methyl 4-(16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl)-4-oxobutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H28N2O3/c1-13-8-14-10-18-17(21(11-13)16(14)4-3-7-23-21)9-15(12-22-18)19(24)5-6-20(25)26-2/h9,12-14,16,23H,3-8,10-11H2,1-2H3 |
| InChI Key | AYWQLULMTJAHKZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28N2O3 |
| Molecular Weight | 356.50 g/mol |
| Exact Mass | 356.20999276 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of Methyl 4-(16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl)-4-oxobutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/298f5260-853a-11ee-a659-fbd3d9ce37c2.jpg "2D Structure of Methyl 4-(16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl)-4-oxobutanoate")
| 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 | 98.88% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.05% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.56% | 85.14% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 93.51% | 97.53% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.25% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.80% | 94.45% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 88.83% | 98.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.65% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.52% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.80% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.72% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.68% | 99.17% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.86% | 95.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.57% | 91.03% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.15% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.22% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.62% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.58% | 94.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.21% | 95.51% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.19% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.15% | 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.
| There are no matching plants. |
| PubChem | 162901291 |
| LOTUS | LTS0082145 |
| wikiData | Q104921444 |