[4-[5-[(4-Amino-1-carboxy-4-oxobutyl)amino]-5-oxopenta-1,3-dienyl]phenyl]-[4-(4-carboxybuta-1,3-dienyl)phenyl]imino-oxidoazanium
| Internal ID | 2b6488f5-5a8a-4480-82a5-5efcb025c9a9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives |
| IUPAC Name | [4-[5-[(4-amino-1-carboxy-4-oxobutyl)amino]-5-oxopenta-1,3-dienyl]phenyl]-[4-(4-carboxybuta-1,3-dienyl)phenyl]imino-oxidoazanium |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC=CC(=O)O)N=[N+](C2=CC=C(C=C2)C=CC=CC(=O)NC(CCC(=O)N)C(=O)O)[O-] |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC=CC(=O)O)N=[N+](C2=CC=C(C=C2)C=CC=CC(=O)NC(CCC(=O)N)C(=O)O)[O-] |
| InChI | InChI=1S/C27H26N4O7/c28-24(32)18-17-23(27(36)37)29-25(33)7-3-1-5-20-11-15-22(16-12-20)31(38)30-21-13-9-19(10-14-21)6-2-4-8-26(34)35/h1-16,23H,17-18H2,(H2,28,32)(H,29,33)(H,34,35)(H,36,37) |
| InChI Key | YUKFJTPWSMXPSM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H26N4O7 |
| Molecular Weight | 518.50 g/mol |
| Exact Mass | 518.18014918 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [4-[5-[(4-Amino-1-carboxy-4-oxobutyl)amino]-5-oxopenta-1,3-dienyl]phenyl]-[4-(4-carboxybuta-1,3-dienyl)phenyl]imino-oxidoazanium](https://plantaedb.com/storage/docs/compounds/2023/11/98325600-856f-11ee-a062-e9b705b386a4.jpg "2D Structure of [4-[5-[(4-Amino-1-carboxy-4-oxobutyl)amino]-5-oxopenta-1,3-dienyl]phenyl]-[4-(4-carboxybuta-1,3-dienyl)phenyl]imino-oxidoazanium")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.09% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.67% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.20% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.75% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.70% | 90.17% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 91.01% | 89.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.74% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.52% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.84% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.08% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.32% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.16% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.59% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.13% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.30% | 89.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.55% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.38% | 95.50% |
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.
| Hypericum perforatum |
| PubChem | 163192384 |
| LOTUS | LTS0028502 |
| wikiData | Q104980678 |