Aggreceride A
| Internal ID | 9192f655-d28e-4439-bff7-f93beb35cba6 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoacylglycerols > 1-monoacylglycerols |
| IUPAC Name | [(2R)-2,3-dihydroxypropyl] (12S)-12-methyltetradecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H36O4/c1-3-16(2)12-10-8-6-4-5-7-9-11-13-18(21)22-15-17(20)14-19/h16-17,19-20H,3-15H2,1-2H3/t16-,17+/m0/s1 |
| InChI Key | HLQJYDUSPITBCP-DLBZAZTESA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H36O4 |
| Molecular Weight | 316.50 g/mol |
| Exact Mass | 316.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.50 |
| 19207-26-2 |
| S3L0ID00Y9 |
| DTXSID50172766 |
| Tetradecanoic acid, 12-methyl-, 2,3-dihydroxypropyl ester |
| [(2R)-2,3-dihydroxypropyl] (12S)-12-methyltetradecanoate |
| ((2R)-2,3-dihydroxypropyl) (12S)-12-methyltetradecanoate |
| RefChem:110145 |
| DTXCID0095257 |
| Tetradecanoic acid, 12-methyl-, (2R)-2,3-dihydroxypropyl ester, (12S)- |
| 2,3-Dihydroxypropyl 12-methyltetradecanoate |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.39% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.08% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.84% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.29% | 98.95% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 90.95% | 89.92% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.10% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.77% | 87.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.82% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.44% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.66% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.67% | 90.71% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.73% | 92.86% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.58% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.25% | 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.
| There are no matching plants. |
| PubChem | 167795 |
| LOTUS | LTS0132460 |
| wikiData | Q27288539 |