1-O-acetyl-2-O-[(3r,7r)-3,7-bis(acetyloxy)octadecanoyl]-sn-glycerol
| Internal ID | bbd8be08-497e-4a6a-813d-4b74221f0221 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (3R,7R)-3,7-diacetyloxyoctadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCC(CCCC(CC(=O)OC(CO)COC(=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CCCCCCCCCCC[C@H](CCC[C@H](CC(=O)O[C@@H](CO)COC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C27H48O9/c1-5-6-7-8-9-10-11-12-13-15-24(34-22(3)30)16-14-17-25(35-23(4)31)18-27(32)36-26(19-28)20-33-21(2)29/h24-26,28H,5-20H2,1-4H3/t24-,25-,26+/m1/s1 |
| InChI Key | UUMYGAVEBJQKTI-CYXNTTPDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H48O9 |
| Molecular Weight | 516.70 g/mol |
| Exact Mass | 516.32983310 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 1-O-acetyl-2-O-[(3r,7r)-3,7-bis(acetyloxy)octadecanoyl]-sn-glycerol](https://plantaedb.com/storage/docs/compounds/2023/11/1-o-acetyl-2-o-3r7r-37-bisacetyloxyoctadecanoyl-sn-glycerol.jpg "2D Structure of 1-O-acetyl-2-O-[(3r,7r)-3,7-bis(acetyloxy)octadecanoyl]-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 | 97.20% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.86% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.07% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.36% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.03% | 92.86% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.55% | 97.21% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.87% | 92.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.21% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.91% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.36% | 96.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.71% | 92.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.57% | 83.82% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.51% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.45% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.20% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.89% | 94.73% |
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 | 101491181 |
| LOTUS | LTS0107873 |
| wikiData | Q105279456 |