6-methyl-N-[7-methyl-3-(2-methylbutyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]hept-2-enamide
| Internal ID | 4f28a993-dbad-41bc-b012-32e5bda5c854 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 6-methyl-N-[7-methyl-3-(2-methylbutyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]hept-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H40N4O5/c1-6-16(4)14-19-22(31)25-13-9-11-18(27-20(29)12-8-7-10-15(2)3)23(32)26-17(5)21(30)24(33)28-19/h8,12,15-19H,6-7,9-11,13-14H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,33) |
| InChI Key | NUXKGEGXALHGMQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H40N4O5 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.29987039 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 6-methyl-N-[7-methyl-3-(2-methylbutyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]hept-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/6-methyl-n-7-methyl-3-2-methylbutyl-2569-tetraoxo-148-triazacyclotridec-10-ylhept-2-enamide.jpg "2D Structure of 6-methyl-N-[7-methyl-3-(2-methylbutyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]hept-2-enamide")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.12% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.31% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.02% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.99% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.88% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.54% | 90.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.44% | 92.88% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.68% | 96.47% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 89.84% | 95.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.05% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.67% | 95.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.28% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.18% | 96.61% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.82% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.18% | 94.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.75% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.44% | 94.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.15% | 91.03% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 84.34% | 96.33% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 83.39% | 92.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.48% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.34% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.11% | 99.17% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 81.57% | 98.24% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.55% | 97.64% |
| CHEMBL268 | P43235 | Cathepsin K | 81.53% | 96.85% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.53% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.87% | 92.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.28% | 89.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.22% | 95.50% |
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.
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| There are no matching plants. |
| PubChem | 162885189 |
| LOTUS | LTS0129763 |
| wikiData | Q104180043 |