3-methoxy-N-methyl-N-[5-[4,6,8-trimethyl-3-(2-methylpropyl)-2,5-dioxo-1-oxa-4-azacycloundec-11-yl]pent-1-enyl]pent-2-enamide
| Internal ID | d9087ae5-ba29-4f18-abfe-9770adb25285 |
| 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 | 3-methoxy-N-methyl-N-[5-[4,6,8-trimethyl-3-(2-methylpropyl)-2,5-dioxo-1-oxa-4-azacycloundec-11-yl]pent-1-enyl]pent-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H48N2O5/c1-9-23(34-8)19-26(31)29(6)16-12-10-11-13-24-15-14-21(4)18-22(5)27(32)30(7)25(17-20(2)3)28(33)35-24/h12,16,19-22,24-25H,9-11,13-15,17-18H2,1-8H3 |
| InChI Key | MTZDCZNHECVTPF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48N2O5 |
| Molecular Weight | 492.70 g/mol |
| Exact Mass | 492.35632264 g/mol |
| Topological Polar Surface Area (TPSA) | 76.20 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 3-methoxy-N-methyl-N-[5-[4,6,8-trimethyl-3-(2-methylpropyl)-2,5-dioxo-1-oxa-4-azacycloundec-11-yl]pent-1-enyl]pent-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/945c43a0-86db-11ee-b890-f3414416e0db.jpg "2D Structure of 3-methoxy-N-methyl-N-[5-[4,6,8-trimethyl-3-(2-methylpropyl)-2,5-dioxo-1-oxa-4-azacycloundec-11-yl]pent-1-enyl]pent-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.99% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.36% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.90% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.20% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.07% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.13% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.89% | 95.71% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 90.04% | 90.75% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 89.34% | 94.66% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.00% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.80% | 91.19% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.81% | 93.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.17% | 95.89% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.34% | 89.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.07% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.52% | 95.56% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 85.47% | 97.29% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.26% | 89.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.93% | 97.25% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.54% | 98.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.72% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.42% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.20% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.94% | 100.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.88% | 95.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.11% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.98% | 99.23% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.48% | 92.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.29% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.14% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.55% | 97.09% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.44% | 97.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.14% | 96.77% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162930231 |
| LOTUS | LTS0120900 |
| wikiData | Q104172069 |