Docosyl 3-phenylprop-2-enoate
| Internal ID | c929c07f-1d33-4c28-84c2-1beff6ab7c4c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | docosyl 3-phenylprop-2-enoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC=CC=C1 |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC=CC=C1 |
| InChI | InChI=1S/C31H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29-33-31(32)28-27-30-25-22-21-23-26-30/h21-23,25-28H,2-20,24,29H2,1H3 |
| InChI Key | ZGRCOLFLALSJHW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H52O2 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 13.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.26% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.09% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.80% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.62% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.22% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.75% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.85% | 92.08% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.57% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.55% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.83% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.11% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.00% | 94.08% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.66% | 91.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.56% | 89.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.98% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 81.85% | 97.50% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.63% | 85.94% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.27% | 80.78% |
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.
| Baccharis aliena |
| PubChem | 86182202 |
| LOTUS | LTS0024934 |
| wikiData | Q105375386 |