Geranyl valerate
| Internal ID | 9cb8b714-bf56-4688-acbc-1db9a65e3341 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate |
| SMILES (Canonical) | CCCCC(=O)OCC=C(C)CCC=C(C)C |
| SMILES (Isomeric) | CCCCC(=O)OC/C=C(\C)/CCC=C(C)C |
| InChI | InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+ |
| InChI Key | CVSWGLSBJFKWMW-SDNWHVSQSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.80 |
| 10402-47-8 |
| [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate |
| geranyl pentanoate |
| Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester |
| Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- |
| 317HUA93QY |
| Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester |
| (E)-3,7-Dimethyl-2,6-octadienyl pentanoate |
| (2E)-3,7-Dimethyl-2,6-octadienyl pentanoate |
| WE(8:2(2E,6E)(3Me,7Me)/5:0) |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.99% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.18% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.58% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.90% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.07% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.96% | 94.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.55% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.37% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.98% | 94.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.45% | 82.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.07% | 86.33% |
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.
| Artemisia arborescens |
| Thymus funkii |
| PubChem | 5365850 |
| LOTUS | LTS0064290 |
| wikiData | Q27256022 |