(2S)-2-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
| Internal ID | b543060a-4da3-4272-97b2-3640d6214e5b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | (2S)-2-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | CCCCCCC(C)C=C(C)C=CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O |
| SMILES (Isomeric) | CCCCCC[C@@H](C)/C=C(\C)/C=C/C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O |
| InChI | InChI=1S/C23H33NO4/c1-4-5-6-7-8-17(2)15-18(3)9-14-22(26)24-21(23(27)28)16-19-10-12-20(25)13-11-19/h9-15,17,21,25H,4-8,16H2,1-3H3,(H,24,26)(H,27,28)/b14-9+,18-15+/t17-,21+/m1/s1 |
| InChI Key | TVFBRUKGDMJDMC-NFVUTFILSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33NO4 |
| Molecular Weight | 387.50 g/mol |
| Exact Mass | 387.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-2e4e6r-46-dimethyldodeca-24-dienoylamino-3-4-hydroxyphenylpropanoic-acid.jpg "2D Structure of (2S)-2-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)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 | 99.56% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.92% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.79% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.46% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.86% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.40% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.31% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.22% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.44% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.69% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.24% | 90.20% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.75% | 91.81% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.98% | 92.29% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 87.56% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.46% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.29% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.41% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.19% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.15% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.11% | 97.21% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.25% | 97.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.01% | 95.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 83.18% | 96.61% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.21% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.08% | 96.00% |
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 | 21777980 |
| LOTUS | LTS0081290 |
| wikiData | Q105265234 |