4-<(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl> (Z)-9-octadecenoate
| Internal ID | 5b7d0421-b218-4689-ab57-d769cf87c497 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids |
| IUPAC Name | [(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dien-4-yl] (Z)-octadec-9-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H50O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(29)31-26(24-23-25(3)4)28(5,30)7-2/h7,14-15,23,26,30H,2,6,8-13,16-22,24H2,1,3-5H3/b15-14-/t26-,28+/m0/s1 |
| InChI Key | JJTYTBCWZXNSDI-ZSETUDKCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H50O3 |
| Molecular Weight | 434.70 g/mol |
| Exact Mass | 434.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 9.80 |
| 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 |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.62% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.60% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 97.11% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.41% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.04% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.81% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.52% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.97% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.97% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.70% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.43% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.51% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.50% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.11% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.98% | 91.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.56% | 92.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.52% | 92.86% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.16% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.79% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.10% | 96.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.07% | 98.03% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.89% | 87.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.61% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.45% | 96.90% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.40% | 97.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.24% | 97.25% |
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 | 15895322 |
| LOTUS | LTS0229284 |
| wikiData | Q77479247 |