Ethyl 1-(3-hydroxy-2,4-dimethyldodec-4-enoyl)pyrrolidine-2-carboxylate
| Internal ID | 9527ba35-d03c-4bb8-93c0-0e72b750c4f6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | ethyl 1-(3-hydroxy-2,4-dimethyldodec-4-enoyl)pyrrolidine-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H37NO4/c1-5-7-8-9-10-11-13-16(3)19(23)17(4)20(24)22-15-12-14-18(22)21(25)26-6-2/h13,17-19,23H,5-12,14-15H2,1-4H3 |
| InChI Key | ATSNGULFDLCUIL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H37NO4 |
| Molecular Weight | 367.50 g/mol |
| Exact Mass | 367.27225866 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
| 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 | 97.98% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.68% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.41% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.25% | 92.86% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.69% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.49% | 100.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 92.81% | 97.47% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 92.40% | 92.12% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.11% | 98.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.19% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.95% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.87% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.46% | 99.17% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 89.52% | 98.44% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.48% | 91.19% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.23% | 97.29% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.07% | 91.81% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.86% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.62% | 97.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 88.30% | 94.66% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.74% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.73% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.68% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.41% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.65% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.17% | 96.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.05% | 93.03% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.87% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.66% | 92.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.32% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.06% | 95.89% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.25% | 96.76% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.12% | 95.50% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.10% | 90.24% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.67% | 97.50% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 82.65% | 94.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.49% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.45% | 98.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.41% | 95.89% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.28% | 95.34% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.23% | 82.38% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.74% | 97.64% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.28% | 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.
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| There are no matching plants. |
| PubChem | 76046694 |
| LOTUS | LTS0037202 |
| wikiData | Q103816417 |