Coniferyl isovalerate
| Internal ID | c87e6f76-53c6-4ed1-ba27-3569330e1cca |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] 3-methylbutanoate |
| SMILES (Canonical) | CC(C)CC(=O)OCC=CC1=CC(=C(C=C1)O)OC |
| SMILES (Isomeric) | CC(C)CC(=O)OC/C=C/C1=CC(=C(C=C1)O)OC |
| InChI | InChI=1S/C15H20O4/c1-11(2)9-15(17)19-8-4-5-12-6-7-13(16)14(10-12)18-3/h4-7,10-11,16H,8-9H2,1-3H3/b5-4+ |
| InChI Key | NKGVHLXBCZYJLO-SNAWJCMRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.20 |
| CHEMBL4540243 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.96% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.87% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.45% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.01% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.38% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.96% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.79% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 90.12% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.81% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.05% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.51% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.05% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.85% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.35% | 90.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.06% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.84% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.02% | 94.73% |
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.
| Electranthera parvifolia |
| Eremanthus incanus |
| Lychnophora blanchetii |
| PubChem | 92006833 |
| LOTUS | LTS0193541 |
| wikiData | Q105180591 |