n-Octacosanyl 3-hydroxy-4-methoxycinnamate
| Internal ID | 8fe11b22-d3a9-4a0c-bbc7-9f5ae1d58bf8 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | octacosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)OC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)OC)O |
| InChI | InChI=1S/C38H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(40)32-30-35-29-31-37(41-2)36(39)34-35/h29-32,34,39H,3-28,33H2,1-2H3 |
| InChI Key | XEOWPOLWKNHXGL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H66O4 |
| Molecular Weight | 586.90 g/mol |
| Exact Mass | 586.49611058 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.71% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.27% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.83% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.06% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 94.32% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.89% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.50% | 91.49% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.69% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.66% | 98.95% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.56% | 80.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.49% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.18% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.07% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.25% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.89% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.59% | 91.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.02% | 96.95% |
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.
| Broussonetia papyrifera |
| Erythrina fusca |
| Erythrina sacleuxii |
| Erythrina sigmoidea |
| PubChem | 85556896 |
| LOTUS | LTS0175121 |
| wikiData | Q104403117 |