[(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-yl] hexadecanoate
| Internal ID | efd5191c-309d-404f-9469-4cff4b4ae2c8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | [(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-yl] hexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OC1CC(OC1CCCCC)C(CCCCCCCC=C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O[C@H]1CCCCC)[C@@H](CCCCCCCC=C)O |
| InChI | InChI=1S/C35H66O4/c1-4-7-10-12-14-15-16-17-18-19-21-23-26-29-35(37)39-34-30-33(38-32(34)28-24-9-6-3)31(36)27-25-22-20-13-11-8-5-2/h5,31-34,36H,2,4,6-30H2,1,3H3/t31-,32+,33-,34+/m1/s1 |
| InChI Key | BWMRCMOKZYMFCF-ITHRCTNCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H66O4 |
| Molecular Weight | 550.90 g/mol |
| Exact Mass | 550.49611058 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 13.30 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-yl] hexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s5r-5-1r-1-hydroxydec-9-enyl-2-pentyloxolan-3-yl-hexadecanoate.jpg "2D Structure of [(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-yl] hexadecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.89% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.21% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.03% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.87% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.74% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.97% | 97.29% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.92% | 91.19% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.44% | 95.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.78% | 97.79% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.58% | 92.50% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.44% | 85.94% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.87% | 95.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.12% | 92.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.09% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.96% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.21% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.20% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.20% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.70% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.63% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.92% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.92% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.17% | 94.73% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.81% | 95.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.32% | 82.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.27% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.26% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.20% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.56% | 94.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.89% | 92.88% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.55% | 94.66% |
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.
| There are no matching plants. |
| PubChem | 21597699 |
| LOTUS | LTS0024840 |
| wikiData | Q104947392 |