16-Acetyl-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
| Internal ID | 7c3703ce-f07c-4a1d-a7d1-048117157185 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters |
| IUPAC Name | 16-acetyl-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30N2O4/c1-7-23(5,6)24-13-18-21(29)30-19(12-14(2)3)20(28)26(18)22(24)25(15(4)27)17-11-9-8-10-16(17)24/h7-11,14,18-19,22H,1,12-13H2,2-6H3 |
| InChI Key | VPFBNSNHAUMDOY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30N2O4 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.22055744 g/mol |
| Topological Polar Surface Area (TPSA) | 66.90 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 16-Acetyl-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e7ba0730-8687-11ee-9c9f-9bb8577d1504.jpg "2D Structure of 16-Acetyl-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione")
| 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 | 97.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.85% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.08% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.89% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.53% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.16% | 94.45% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.99% | 90.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.26% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.79% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.75% | 96.47% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.03% | 85.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.07% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.06% | 97.50% |
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 | 73240336 |
| LOTUS | LTS0206900 |
| wikiData | Q105290741 |