2-[(2S)-1,2,3-trihydroxypropyl]tetradeca-2,4,6-trienoic acid
| Internal ID | 2040c26a-0a69-4f06-9231-1247307eabd8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 2-[(2S)-1,2,3-trihydroxypropyl]tetradeca-2,4,6-trienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H28O5/c1-2-3-4-5-6-7-8-9-10-11-12-14(17(21)22)16(20)15(19)13-18/h8-12,15-16,18-20H,2-7,13H2,1H3,(H,21,22)/t15-,16?/m0/s1 |
| InChI Key | LOMSXVINRLISDY-VYRBHSGPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H28O5 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 2-[(2S)-1,2,3-trihydroxypropyl]tetradeca-2,4,6-trienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2s-123-trihydroxypropyltetradeca-246-trienoic-acid.jpg "2D Structure of 2-[(2S)-1,2,3-trihydroxypropyl]tetradeca-2,4,6-trienoic 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.44% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.15% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.95% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.77% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.88% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.72% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.71% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.45% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.58% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.56% | 90.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.16% | 85.94% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.80% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.32% | 97.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.24% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.54% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.19% | 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.
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| There are no matching plants. |
| PubChem | 163186842 |
| LOTUS | LTS0134698 |
| wikiData | Q105154807 |