3-[13-(2-Acetamido-3-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoylamino]-2-methylpropanoic acid
| Internal ID | 5f613623-cbea-44cc-80f0-8d3abc0c7066 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Beta amino acids and derivatives |
| IUPAC Name | 3-[13-(2-acetamido-3-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoylamino]-2-methylpropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H30N2O5/c1-20(26(31)32)19-27-24(30)18-13-11-9-7-5-4-6-8-10-12-15-22-16-14-17-23(33-3)25(22)28-21(2)29/h4-18,20H,19H2,1-3H3,(H,27,30)(H,28,29)(H,31,32) |
| InChI Key | DDPBZJFKHOQWLE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30N2O5 |
| Molecular Weight | 450.50 g/mol |
| Exact Mass | 450.21547206 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 3-[13-(2-Acetamido-3-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoylamino]-2-methylpropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-13-2-acetamido-3-methoxyphenyltrideca-24681012-hexaenoylamino-2-methylpropanoic-acid.jpg "2D Structure of 3-[13-(2-Acetamido-3-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoylamino]-2-methylpropanoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.40% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.00% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.10% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.95% | 83.82% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.78% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.74% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.29% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.20% | 85.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.98% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.58% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.18% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.49% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.27% | 97.21% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.23% | 89.62% |
| CHEMBL5028 | O14672 | ADAM10 | 82.09% | 97.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.36% | 89.50% |
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.
| There are no matching plants. |
| PubChem | 162984590 |
| LOTUS | LTS0132797 |
| wikiData | Q103818295 |