Alanyl-dimethylallyl-L-tryptophan anhydride
| Internal ID | 5bf4b9a9-20a1-43c8-82fa-eac03465e66c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]piperazine-2,5-dione |
| SMILES (Canonical) | CC1C(=O)NC(C(=O)N1)CC2=C(NC3=CC=CC=C32)C(C)(C)C=C |
| SMILES (Isomeric) | CC1C(=O)NC(C(=O)N1)CC2=C(NC3=CC=CC=C32)C(C)(C)C=C |
| InChI | InChI=1S/C19H23N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-9,11,15,21H,1,10H2,2-4H3,(H,20,24)(H,22,23) |
| InChI Key | LVPZJIGICMPWFH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23N3O2 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.17902698 g/mol |
| Topological Polar Surface Area (TPSA) | 74.00 Ų |
| XlogP | 3.20 |
| NSC-270054 |
| ALANYL-DIMETHYLALLYL-L-TRYPTOPHAN ANHYDRIDE |
| L-alanyl-2-(1,1-dimethylallyl)-L-tryptophan anhydride |
| 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 | 97.61% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.46% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.71% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.46% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.90% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.16% | 90.08% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.14% | 91.49% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.77% | 88.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.72% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.85% | 98.59% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.85% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.75% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 320912 |
| LOTUS | LTS0074268 |
| wikiData | Q104171372 |