Cinnamyl valerate
| Internal ID | fde8c386-298d-4de1-ae93-c0014b33cc0f |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Styrenes |
| IUPAC Name | [(E)-3-phenylprop-2-enyl] pentanoate |
| SMILES (Canonical) | CCCCC(=O)OCC=CC1=CC=CC=C1 |
| SMILES (Isomeric) | CCCCC(=O)OC/C=C/C1=CC=CC=C1 |
| InChI | InChI=1S/C14H18O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+ |
| InChI Key | FLSKWIBFXUNBAW-JXMROGBWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H18O2 |
| Molecular Weight | 218.29 g/mol |
| Exact Mass | 218.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.60 |
| 10482-65-2 |
| [(E)-3-phenylprop-2-enyl] pentanoate |
| Pentanoic acid, 3-phenyl-2-propenyl ester |
| Valeric acid, cinnamyl ester |
| cinnamylvalerate |
| cinnamyl pentanoate |
| Cinnamyl N-valerate |
| EINECS 233-987-3 |
| SCHEMBL1305900 |
| 3-Phenyl-2-propenyl pentanoate |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.24% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.94% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.61% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.68% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.97% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.47% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.20% | 91.11% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.21% | 91.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.81% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.99% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.84% | 94.73% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.67% | 92.51% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.15% | 93.56% |
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.
| Bupleurum fruticosum |
| PubChem | 5367959 |
| LOTUS | LTS0134733 |
| wikiData | Q104375792 |