Methyl 4-[(5-acetyloxy-3-methylpent-2-enoyl)amino]butanoate
| Internal ID | 7b5d5012-0410-40b3-b372-7b4ff1450af2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives |
| IUPAC Name | methyl 4-[(5-acetyloxy-3-methylpent-2-enoyl)amino]butanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H21NO5/c1-10(6-8-19-11(2)15)9-12(16)14-7-4-5-13(17)18-3/h9H,4-8H2,1-3H3,(H,14,16) |
| InChI Key | YJAKSKSMUOXRHW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H21NO5 |
| Molecular Weight | 271.31 g/mol |
| Exact Mass | 271.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of Methyl 4-[(5-acetyloxy-3-methylpent-2-enoyl)amino]butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-4-5-acetyloxy-3-methylpent-2-enoylaminobutanoate.jpg "2D Structure of Methyl 4-[(5-acetyloxy-3-methylpent-2-enoyl)amino]butanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.10% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.32% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.26% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.86% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.25% | 94.45% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.15% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.14% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.68% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.12% | 94.73% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 81.89% | 91.83% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.56% | 96.25% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.97% | 86.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.82% | 97.21% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.70% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.69% | 91.19% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.38% | 97.29% |
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.
| Rhizophora mucronata |
| PubChem | 75954492 |
| LOTUS | LTS0081542 |
| wikiData | Q104201757 |