3-(3'-Hydroxydecanoyloxy)tetradenenoic acid
| Internal ID | d0e59326-1315-4427-83c7-1ed7400d61c1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > 3-(3-hydroxyalkanoyloxy)alkanoic acids |
| IUPAC Name | 3-(3-hydroxydecanoyloxy)tetradecanoic acid |
| SMILES (Canonical) | CCCCCCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)O |
| InChI | InChI=1S/C24H46O5/c1-3-5-7-9-10-11-12-14-16-18-22(20-23(26)27)29-24(28)19-21(25)17-15-13-8-6-4-2/h21-22,25H,3-20H2,1-2H3,(H,26,27) |
| InChI Key | PMWHJUYDRMLASR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H46O5 |
| Molecular Weight | 414.60 g/mol |
| Exact Mass | 414.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 8.00 |
| CHEBI:189276 |
| 3-(3-hydroxydecanoyloxy)tetradecanoic 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 | 97.25% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.54% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.51% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.91% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.33% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.98% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.73% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.37% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.23% | 91.81% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.96% | 92.86% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.56% | 97.06% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.05% | 97.21% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.63% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.22% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.20% | 100.00% |
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 | 139584018 |
| LOTUS | LTS0219362 |
| wikiData | Q77278539 |