16-Hydroxyhexadecan-8-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | c7681f95-c927-4644-a42e-33f490ef62f4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 16-hydroxyhexadecan-8-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CCCCCCCC(CCCCCCCCO)OC(=O)C=CC1=CC(=C(C=C1)O)O |
| SMILES (Isomeric) | CCCCCCCC(CCCCCCCCO)OC(=O)C=CC1=CC(=C(C=C1)O)O |
| InChI | InChI=1S/C25H40O5/c1-2-3-4-7-10-13-22(14-11-8-5-6-9-12-19-26)30-25(29)18-16-21-15-17-23(27)24(28)20-21/h15-18,20,22,26-28H,2-14,19H2,1H3 |
| InChI Key | IHWFEFFLDBPLFB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O5 |
| Molecular Weight | 420.60 g/mol |
| Exact Mass | 420.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 7.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.99% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.89% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.16% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.84% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.31% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.03% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.50% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.16% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.56% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.36% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.30% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.78% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.38% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.45% | 91.71% |
| CHEMBL3194 | P02766 | Transthyretin | 87.17% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.29% | 89.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.97% | 80.78% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.44% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.51% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.49% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.49% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.78% | 93.31% |
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.
| Cedrus deodara |
| PubChem | 73818342 |
| LOTUS | LTS0155812 |
| wikiData | Q105113276 |