1,3-Dihydroxypropan-2-yl icosa-5,11,14-trienoate
| Internal ID | f55d0f78-8f5c-4cbf-aef1-f64f52705ab7 |
| Taxonomy | Lipids and lipid-like molecules > Endocannabinoids |
| IUPAC Name | 1,3-dihydroxypropan-2-yl icosa-5,11,14-trienoate |
| SMILES (Canonical) | CCCCCC=CCC=CCCCCC=CCCCC(=O)OC(CO)CO |
| SMILES (Isomeric) | CCCCCC=CCC=CCCCCC=CCCCC(=O)OC(CO)CO |
| InChI | InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,15-16,22,24-25H,2-5,8,11-14,17-21H2,1H3 |
| InChI Key | KXAFDKQQSSWDNZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H40O4 |
| Molecular Weight | 380.60 g/mol |
| Exact Mass | 380.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.80 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor |
23 nM |
EC50 |
via Super-PRED
|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor |
17 nM |
EC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.97% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.36% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.28% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.75% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.72% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.50% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.10% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.73% | 93.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.44% | 97.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.20% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.13% | 92.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.42% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.51% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.07% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.45% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.41% | 86.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.28% | 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.
| Sciadopitys verticillata |
| PubChem | 162998415 |
| LOTUS | LTS0190039 |
| wikiData | Q105147247 |