Pentacosyl docosanoate
| Internal ID | 70763263-c27c-4c7d-ba6d-5676edfe2454 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | pentacosyl docosanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C47H94O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-49-47(48)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3 |
| InChI Key | HSXVHAPZNKZODX-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C47H94O2 |
| Molecular Weight | 691.20 g/mol |
| Exact Mass | 690.72538224 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 23.30 |
| 137732-44-6 |
| DTXSID60768578 |
| 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 | 96.91% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.96% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.74% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.37% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.20% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.93% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.08% | 98.03% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.93% | 87.45% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.01% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.53% | 91.81% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.45% | 92.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.92% | 97.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.62% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.24% | 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.
| Chlorophytum arundinaceum |
| PubChem | 71341705 |
| LOTUS | LTS0212136 |
| wikiData | Q82726981 |