Methyl 2-[[2-[(3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl)amino]-2-oxoethyl]-methylamino]acetate
| Internal ID | 957938b0-ceb7-46fa-afca-7e642b1de886 |
| 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 | methyl 2-[[2-[(3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl)amino]-2-oxoethyl]-methylamino]acetate |
| SMILES (Canonical) | CC1CCC(C(C12CCC(=C2)C)NC(=O)CN(C)CC(=O)OC)C(C)C |
| SMILES (Isomeric) | CC1CCC(C(C12CCC(=C2)C)NC(=O)CN(C)CC(=O)OC)C(C)C |
| InChI | InChI=1S/C21H36N2O3/c1-14(2)17-8-7-16(4)21(10-9-15(3)11-21)20(17)22-18(24)12-23(5)13-19(25)26-6/h11,14,16-17,20H,7-10,12-13H2,1-6H3,(H,22,24) |
| InChI Key | JWROISLFQFHVRT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36N2O3 |
| Molecular Weight | 364.50 g/mol |
| Exact Mass | 364.27259301 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[[2-[(3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl)amino]-2-oxoethyl]-methylamino]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b5f95030-861c-11ee-bf67-efb7ff03b3b2.jpg "2D Structure of Methyl 2-[[2-[(3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl)amino]-2-oxoethyl]-methylamino]acetate")
| 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 | 98.42% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.63% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.16% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.89% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.12% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.79% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 84.09% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.96% | 91.19% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.15% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.84% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.36% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.12% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.94% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.80% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 85406480 |
| LOTUS | LTS0073376 |
| wikiData | Q105136330 |