deprenylmuscoride B
| Internal ID | 94d581ac-e0d8-4432-b6c3-7788cfe0df43 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Isoleucine and derivatives |
| IUPAC Name | 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)N1CCCC1C2=NC(=CO2)C3=NC(=C(O3)C)C4=NC(=CO4)C(=O)O)NCC=C(C)C |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C2=NC(=CO2)C3=NC(=C(O3)C)C4=NC(=CO4)C(=O)O)NCC=C(C)C |
| InChI | InChI=1S/C26H33N5O6/c1-6-15(4)20(27-10-9-14(2)3)25(32)31-11-7-8-19(31)23-28-17(12-35-23)22-30-21(16(5)37-22)24-29-18(13-36-24)26(33)34/h9,12-13,15,19-20,27H,6-8,10-11H2,1-5H3,(H,33,34)/t15-,19-,20-/m0/s1 |
| InChI Key | ZIUWXSVNWOCDAE-YSSFQJQWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H33N5O6 |
| Molecular Weight | 511.60 g/mol |
| Exact Mass | 511.24308379 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 1.20 |
| DTXSID001334230 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 98.41% | 87.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.53% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.61% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.33% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.64% | 85.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 89.20% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.67% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.02% | 96.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.20% | 97.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.07% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.39% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.00% | 93.03% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.88% | 81.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.87% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.48% | 93.00% |
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 | 155802451 |
| LOTUS | LTS0074260 |
| wikiData | Q105377529 |