Belactosin A
| Internal ID | a45dc0ca-64ac-4ebc-a7aa-f05da4df7a39 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1R,2S)-2-[[(2R,3S)-3-[(2S)-butan-2-yl]-4-oxooxetane-2-carbonyl]amino]cyclopropyl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H27N3O6/c1-4-7(2)12-13(26-17(12)25)15(22)19-10-5-9(10)6-11(16(23)24)20-14(21)8(3)18/h7-13H,4-6,18H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)/t7-,8-,9+,10-,11-,12-,13+/m0/s1 |
| InChI Key | ZSYIAUXMQLVKIL-SMFJDMQNSA-N |
| Popularity | 27 references in papers |
| Molecular Formula | C17H27N3O6 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.18998559 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | -1.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 97.64% | 95.58% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.35% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.98% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.59% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.54% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.45% | 97.25% |
| CHEMBL4198 | P98170 | Inhibitor of apoptosis protein 3 | 90.43% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.82% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.71% | 90.17% |
| CHEMBL4801 | P29466 | Caspase-1 | 88.70% | 96.85% |
| CHEMBL3776 | Q14790 | Caspase-8 | 88.38% | 97.06% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 87.43% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.53% | 94.45% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.11% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.61% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.11% | 91.19% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.00% | 98.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.24% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.03% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.95% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.44% | 96.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.09% | 95.93% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.61% | 99.35% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.23% | 83.10% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.50% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.32% | 95.56% |
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 | 11222428 |
| LOTUS | LTS0130048 |
| wikiData | Q77521201 |