1-O-acetyl-2-O-[(3r,9r)-3-(acetyloxy)-9-hydroxyeicosanoyl]-sn-glycerol
| Internal ID | bd7424b5-0644-43b9-b69e-092a6e76178a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (3R,9R)-3-acetyloxy-9-hydroxyicosanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H50O8/c1-4-5-6-7-8-9-10-11-13-16-24(31)17-14-12-15-18-25(34-23(3)30)19-27(32)35-26(20-28)21-33-22(2)29/h24-26,28,31H,4-21H2,1-3H3/t24-,25-,26+/m1/s1 |
| InChI Key | FFWQYPHFHGDBSV-CYXNTTPDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H50O8 |
| Molecular Weight | 502.70 g/mol |
| Exact Mass | 502.35056855 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 1-O-acetyl-2-O-[(3r,9r)-3-(acetyloxy)-9-hydroxyeicosanoyl]-sn-glycerol](https://plantaedb.com/storage/docs/compounds/2023/11/1-o-acetyl-2-o-3r9r-3-acetyloxy-9-hydroxyeicosanoyl-sn-glycerol.jpg "2D Structure of 1-O-acetyl-2-O-[(3r,9r)-3-(acetyloxy)-9-hydroxyeicosanoyl]-sn-glycerol")
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.97% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.91% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.34% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.30% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.49% | 92.86% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.96% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.61% | 96.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.05% | 92.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.92% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.91% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.42% | 91.81% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.02% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.03% | 83.82% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.35% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.56% | 92.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.99% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.88% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.68% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.54% | 100.00% |
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.
| Paulownia tomentosa |
| PubChem | 101491185 |
| LOTUS | LTS0129075 |
| wikiData | Q104994720 |