1,3-Dihydroxypropan-2-yl 9-oxooctadec-12-enoate
| Internal ID | 72ec9096-7d06-423e-a43e-b02c89fe0755 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | 1,3-dihydroxypropan-2-yl 9-oxooctadec-12-enoate |
| SMILES (Canonical) | CCCCCC=CCCC(=O)CCCCCCCC(=O)OC(CO)CO |
| SMILES (Isomeric) | CCCCCC=CCCC(=O)CCCCCCCC(=O)OC(CO)CO |
| InChI | InChI=1S/C21H38O5/c1-2-3-4-5-6-8-11-14-19(24)15-12-9-7-10-13-16-21(25)26-20(17-22)18-23/h6,8,20,22-23H,2-5,7,9-18H2,1H3 |
| InChI Key | BWISWMPEIXFANG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H38O5 |
| Molecular Weight | 370.50 g/mol |
| Exact Mass | 370.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.77% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.64% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.05% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.01% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.23% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.28% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.31% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.00% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.10% | 96.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.03% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.62% | 93.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.34% | 97.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.01% | 98.03% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.15% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.94% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.12% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.90% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.78% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.08% | 91.19% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.35% | 95.17% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.24% | 82.50% |
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.
| Ipomoea nil |
| PubChem | 163050948 |
| LOTUS | LTS0219823 |
| wikiData | Q104947266 |