1-(3-Hydroxy-2,4,6-trimethyldec-4-enoyl)pyrrolidine-2-carboxylic acid
| Internal ID | 43511915-e36b-4df3-a5a2-cf8a792ee234 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | 1-(3-hydroxy-2,4,6-trimethyldec-4-enoyl)pyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | CCCCC(C)C=C(C)C(C(C)C(=O)N1CCCC1C(=O)O)O |
| SMILES (Isomeric) | CCCCC(C)C=C(C)C(C(C)C(=O)N1CCCC1C(=O)O)O |
| InChI | InChI=1S/C18H31NO4/c1-5-6-8-12(2)11-13(3)16(20)14(4)17(21)19-10-7-9-15(19)18(22)23/h11-12,14-16,20H,5-10H2,1-4H3,(H,22,23) |
| InChI Key | UUFOMZNZQYHUJH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H31NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.30 |
| 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 | 98.95% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.37% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.53% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.42% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.16% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.06% | 98.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.38% | 89.63% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 90.41% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.09% | 91.19% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.27% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.24% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.03% | 99.18% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 88.30% | 97.64% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.53% | 91.81% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 87.25% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.06% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.44% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.34% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.11% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.40% | 93.00% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 85.38% | 98.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.18% | 99.17% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.03% | 98.10% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.55% | 97.29% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.51% | 97.09% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 82.34% | 92.86% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.29% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.61% | 94.66% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.28% | 96.00% |
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 | 74423119 |
| LOTUS | LTS0090451 |
| wikiData | Q104198923 |