2-[(4-Acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-phenylpropanoic acid
| Internal ID | a8fa3216-6b82-4e59-bc71-dcf3daffa06d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | 2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-phenylpropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H16N2O5/c1-10(20)18-12-8-16(22)13(9-15(12)21)19-14(17(23)24)7-11-5-3-2-4-6-11/h2-6,8-9,14,19H,7H2,1H3,(H,18,20)(H,23,24) |
| InChI Key | JIPASBHCRXZNBN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16N2O5 |
| Molecular Weight | 328.32 g/mol |
| Exact Mass | 328.10592162 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 2-[(4-Acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-phenylpropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-acetamido-36-dioxocyclohexa-14-dien-1-ylamino-3-phenylpropanoic-acid.jpg "2D Structure of 2-[(4-Acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-phenylpropanoic acid")
| 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 | 98.24% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.25% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 93.15% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.29% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.49% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.30% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.39% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.67% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.63% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.45% | 100.00% |
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 | 76416313 |
| LOTUS | LTS0130734 |
| wikiData | Q104169576 |