[(2R,4S,6S)-4,6-dihydroxy-1-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]henicosan-2-yl] acetate
| Internal ID | 5d4a5b19-f218-450d-b067-c56940bb6adb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | [(2R,4S,6S)-4,6-dihydroxy-1-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]henicosan-2-yl] acetate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(CC(CC(CC1CC(CC(=O)O1)O)OC(=O)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC[C@@H](C[C@@H](C[C@H](C[C@@H]1C[C@H](CC(=O)O1)O)OC(=O)C)O)O |
| InChI | InChI=1S/C28H52O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(30)17-24(31)18-26(34-22(2)29)21-27-19-25(32)20-28(33)35-27/h23-27,30-32H,3-21H2,1-2H3/t23-,24-,25+,26+,27-/m0/s1 |
| InChI Key | RDGZXVIPYWJQBR-KDDYYSGWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H52O7 |
| Molecular Weight | 500.70 g/mol |
| Exact Mass | 500.37130399 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of [(2R,4S,6S)-4,6-dihydroxy-1-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]henicosan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2r4s6s-46-dihydroxy-1-2s4r-4-hydroxy-6-oxooxan-2-ylhenicosan-2-yl-acetate.jpg "2D Structure of [(2R,4S,6S)-4,6-dihydroxy-1-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]henicosan-2-yl] acetate")
| 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 | 97.85% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.62% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.56% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.18% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.08% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.92% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.08% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.61% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.43% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.35% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.02% | 97.29% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.32% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.68% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.20% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.07% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.88% | 82.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.61% | 92.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.62% | 91.81% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.44% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.32% | 95.89% |
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.
| Passiflora foetida |
| PubChem | 163037230 |
| LOTUS | LTS0233809 |
| wikiData | Q105234221 |