Leopolic acid A
| Internal ID | 691c2943-6562-4720-849c-ea01d801741c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | (2S)-2-[[(2S)-1-(3-decyl-4-hydroxy-5-oxo-2H-pyrrol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-phenylpropanoic acid |
| SMILES (Canonical) | CCCCCCCCCCC1=C(C(=O)N(C1)C(=O)C(C(C)C)NC(=O)NC(CC2=CC=CC=C2)C(=O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCC1=C(C(=O)N(C1)C(=O)[C@H](C(C)C)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)O |
| InChI | InChI=1S/C29H43N3O6/c1-4-5-6-7-8-9-10-14-17-22-19-32(27(35)25(22)33)26(34)24(20(2)3)31-29(38)30-23(28(36)37)18-21-15-12-11-13-16-21/h11-13,15-16,20,23-24,33H,4-10,14,17-19H2,1-3H3,(H,36,37)(H2,30,31,38)/t23-,24-/m0/s1 |
| InChI Key | BSVQYPWIIRMJLD-ZEQRLZLVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H43N3O6 |
| Molecular Weight | 529.70 g/mol |
| Exact Mass | 529.31518610 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 6.30 |
| 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 | 99.86% | 98.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 99.26% | 93.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.74% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.34% | 83.82% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 94.65% | 91.81% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.30% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.79% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.64% | 93.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.36% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.91% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.04% | 95.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.07% | 98.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.69% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.00% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.92% | 90.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.24% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 86.36% | 96.85% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.56% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.15% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.29% | 93.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.18% | 90.20% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.18% | 96.37% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.19% | 96.47% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.05% | 97.00% |
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 | 71482889 |
| LOTUS | LTS0201664 |
| wikiData | Q77484763 |