Isovaleric acid (e)-4-(3-(5,5-dimethyl-4-oxo-2-oxolen-2-yl)-2-butenyloxy)-phenethyl amide
| Internal ID | 2b7eea4c-a1f7-4016-944b-ac6646dd84c4 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | N-[2-[4-[(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enoxy]phenyl]ethyl]-3-methylbutanamide |
| SMILES (Canonical) | CC(C)CC(=O)NCCC1=CC=C(C=C1)OCC=C(C)C2=CC(=O)C(O2)(C)C |
| SMILES (Isomeric) | CC(C)CC(=O)NCCC1=CC=C(C=C1)OC/C=C(\C)/C2=CC(=O)C(O2)(C)C |
| InChI | InChI=1S/C23H31NO4/c1-16(2)14-22(26)24-12-10-18-6-8-19(9-7-18)27-13-11-17(3)20-15-21(25)23(4,5)28-20/h6-9,11,15-16H,10,12-14H2,1-5H3,(H,24,26)/b17-11+ |
| InChI Key | SXTCADNGJFPXRJ-GZTJUZNOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H31NO4 |
| Molecular Weight | 385.50 g/mol |
| Exact Mass | 385.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.44% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.45% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.49% | 99.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 95.23% | 94.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 94.41% | 89.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.19% | 94.75% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 93.22% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.39% | 94.73% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 92.18% | 85.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.81% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.53% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.06% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.06% | 86.33% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.41% | 95.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.67% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.30% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.16% | 98.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.40% | 98.59% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.51% | 89.67% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 82.48% | 96.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.33% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.45% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.04% | 89.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.02% | 92.29% |
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.
| Glycosmis parva |
| PubChem | 10667811 |
| LOTUS | LTS0135916 |
| wikiData | Q105263317 |