3-(4-Hydroxyphenyl)propyl pentacosanoate
| Internal ID | 681af973-57df-4424-ba7b-9bea14ef3595 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | 3-(4-hydroxyphenyl)propyl pentacosanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC1=CC=C(C=C1)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC1=CC=C(C=C1)O |
| InChI | InChI=1S/C34H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-34(36)37-31-24-25-32-27-29-33(35)30-28-32/h27-30,35H,2-26,31H2,1H3 |
| InChI Key | SMFRNZMKWGEDNW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H60O3 |
| Molecular Weight | 516.80 g/mol |
| Exact Mass | 516.45424577 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 14.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.10% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.70% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.53% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.74% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.28% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.34% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.05% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.44% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.07% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.49% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.54% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.11% | 90.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.63% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.26% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.01% | 91.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.97% | 96.95% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.31% | 94.01% |
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.
| Taxus canadensis |
| PubChem | 100927949 |
| LOTUS | LTS0237496 |
| wikiData | Q105255893 |