(E)-6-[[(E,2R,3R)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohex-3-enoic acid
| Internal ID | 5dd3ee5b-0a84-4d21-b006-a129f7776b3f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | (E)-6-[[(E,2R,3R)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohex-3-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H27NO5/c1-6-7-10(2)15(20)13(5)16(21)18-9-14(19)11(3)8-12(4)17(22)23/h7-8,12-13,15,20H,6,9H2,1-5H3,(H,18,21)(H,22,23)/b10-7+,11-8+/t12?,13-,15+/m1/s1 |
| InChI Key | AQFDZTJTXSTJTC-BPQFZQMDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H27NO5 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (E)-6-[[(E,2R,3R)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohex-3-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e-6-e2r3r-3-hydroxy-24-dimethylhept-4-enoylamino-24-dimethyl-5-oxohex-3-enoic-acid.jpg "2D Structure of (E)-6-[[(E,2R,3R)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohex-3-enoic 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 | 96.25% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.17% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.79% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.61% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.94% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.57% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.33% | 82.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.88% | 94.45% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.76% | 92.29% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.64% | 89.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.88% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.71% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.00% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.72% | 96.95% |
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 | 162823095 |
| LOTUS | LTS0067353 |
| wikiData | Q104916817 |