1-Phenylethyl triacontanoate
| Internal ID | f71d0e96-b31a-41f0-a518-24183f991d5b |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzyloxycarbonyls |
| IUPAC Name | 1-phenylethyl triacontanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C1=CC=CC=C1 |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C1=CC=CC=C1 |
| InChI | InChI=1S/C38H68O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-35-38(39)40-36(2)37-33-30-29-31-34-37/h29-31,33-34,36H,3-28,32,35H2,1-2H3 |
| InChI Key | RUHSIZVSMSCTOM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H68O2 |
| Molecular Weight | 556.90 g/mol |
| Exact Mass | 556.52193141 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 16.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.71% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.20% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.80% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.48% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.59% | 93.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.49% | 92.08% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.86% | 94.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.03% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.96% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.60% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.33% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.92% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.52% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.75% | 94.62% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.66% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.22% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.69% | 94.73% |
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.
| Lindera glauca |
| Simmondsia chinensis |
| PubChem | 163195748 |
| LOTUS | LTS0143037 |
| wikiData | Q105378918 |