3-(3,4-dihydroxyphenyl)propyl (3S)-3-hydroxyicosanoate
| Internal ID | 5d0c5dc3-c221-4416-87db-cab6bafba4c6 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)propyl (3S)-3-hydroxyicosanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC(CC(=O)OCCCC1=CC(=C(C=C1)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCC[C@@H](CC(=O)OCCCC1=CC(=C(C=C1)O)O)O |
| InChI | InChI=1S/C29H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26(30)24-29(33)34-22-17-18-25-20-21-27(31)28(32)23-25/h20-21,23,26,30-32H,2-19,22,24H2,1H3/t26-/m0/s1 |
| InChI Key | DXQGHBIXJLKBGR-SANMLTNESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H50O5 |
| Molecular Weight | 478.70 g/mol |
| Exact Mass | 478.36582469 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 9.90 |
| 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 | 98.45% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.74% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.24% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.23% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.17% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.93% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.25% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.65% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.21% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.14% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.51% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.19% | 86.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.46% | 100.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.62% | 96.37% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.50% | 95.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.74% | 94.62% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.82% | 92.86% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.45% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.28% | 93.56% |
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.
| Pegolettia senegalensis |
| PubChem | 163009879 |
| LOTUS | LTS0131847 |
| wikiData | Q104991149 |