(r)-Citronellyl propionate
| Internal ID | 8c9be734-093f-4e39-9bbe-36a611446a88 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(3R)-3,7-dimethyloct-6-enyl] propanoate |
| SMILES (Canonical) | CCC(=O)OCCC(C)CCC=C(C)C |
| SMILES (Isomeric) | CCC(=O)OCC[C@H](C)CCC=C(C)C |
| InChI | InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3/t12-/m1/s1 |
| InChI Key | POPNTVRHTZDEBW-GFCCVEGCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H24O2 |
| Molecular Weight | 212.33 g/mol |
| Exact Mass | 212.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.20 |
| DTXSID501251146 |
| 94086-40-5 |
| 6-Octen-1-ol, 3,7-dimethyl-, propanoate, (R)- |
| 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 | 94.61% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.36% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.74% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.04% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.45% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.89% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.97% | 96.47% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.70% | 97.29% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 82.71% | 89.92% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.01% | 89.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.50% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.14% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.93% | 97.25% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.65% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.44% | 96.00% |
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.
| Pinus heldreichii |
| PubChem | 38989039 |
| LOTUS | LTS0194604 |
| wikiData | Q105212588 |