2-[[16-[(1-Carboxy-2-methylbutyl)amino]-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoyl]amino]pentanedioic acid
| Internal ID | 8539bb26-b98e-4a2f-b72e-9e4bdf428b5b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives |
| IUPAC Name | 2-[[16-[(1-carboxy-2-methylbutyl)amino]-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoyl]amino]pentanedioic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)O)NC(=O)C=CC=CC=CC=CC=CC=CC=CC(=O)NC(CCC(=O)O)C(=O)O |
| SMILES (Isomeric) | CCC(C)C(C(=O)O)NC(=O)C=CC=CC=CC=CC=CC=CC=CC(=O)NC(CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C27H34N2O8/c1-3-20(2)25(27(36)37)29-23(31)17-15-13-11-9-7-5-4-6-8-10-12-14-16-22(30)28-21(26(34)35)18-19-24(32)33/h4-17,20-21,25H,3,18-19H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)(H,36,37) |
| InChI Key | AHLSXWWYLQGXPJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H34N2O8 |
| Molecular Weight | 514.60 g/mol |
| Exact Mass | 514.23151605 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 2-[[16-[(1-Carboxy-2-methylbutyl)amino]-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoyl]amino]pentanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/35dce9c0-8615-11ee-a3d5-9dbb6ccd5e59.jpg "2D Structure of 2-[[16-[(1-Carboxy-2-methylbutyl)amino]-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoyl]amino]pentanedioic 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.00% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.14% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.14% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.43% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.28% | 100.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 89.25% | 97.06% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.51% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.87% | 96.47% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.61% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.11% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.90% | 83.82% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.00% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.86% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.97% | 89.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.88% | 90.20% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.08% | 90.71% |
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 | 162843054 |
| LOTUS | LTS0077020 |
| wikiData | Q104085260 |