3-[[(4E,6E,8E,10E,12E)-13-(2-acetamido-3-methoxyphenyl)-3-hydroxytrideca-4,6,8,10,12-pentaenoyl]amino]propanoic acid
| Internal ID | 55e02517-3f99-4efa-9409-de209aaa697c |
| 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-[[(4E,6E,8E,10E,12E)-13-(2-acetamido-3-methoxyphenyl)-3-hydroxytrideca-4,6,8,10,12-pentaenoyl]amino]propanoic acid |
| SMILES (Canonical) | CC(=O)NC1=C(C=CC=C1OC)C=CC=CC=CC=CC=CC(CC(=O)NCCC(=O)O)O |
| SMILES (Isomeric) | CC(=O)NC1=C(C=CC=C1OC)/C=C/C=C/C=C/C=C/C=C/C(CC(=O)NCCC(=O)O)O |
| InChI | InChI=1S/C25H30N2O6/c1-19(28)27-25-20(13-11-15-22(25)33-2)12-9-7-5-3-4-6-8-10-14-21(29)18-23(30)26-17-16-24(31)32/h3-15,21,29H,16-18H2,1-2H3,(H,26,30)(H,27,28)(H,31,32)/b4-3+,7-5+,8-6+,12-9+,14-10+ |
| InChI Key | VRFSFPAMHJPKSX-LTQWNSRPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H30N2O6 |
| Molecular Weight | 454.50 g/mol |
| Exact Mass | 454.21038668 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 3-[[(4E,6E,8E,10E,12E)-13-(2-acetamido-3-methoxyphenyl)-3-hydroxytrideca-4,6,8,10,12-pentaenoyl]amino]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d6120470-8638-11ee-bd7e-510bfeed11e8.jpg "2D Structure of 3-[[(4E,6E,8E,10E,12E)-13-(2-acetamido-3-methoxyphenyl)-3-hydroxytrideca-4,6,8,10,12-pentaenoyl]amino]propanoic 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 | 98.03% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.89% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.30% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.82% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.46% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.85% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.03% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.40% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.14% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.28% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.31% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.25% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.47% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.43% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.91% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.54% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.94% | 91.19% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.41% | 98.75% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.43% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.00% | 97.50% |
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 | 101246366 |
| LOTUS | LTS0240413 |
| wikiData | Q77572394 |