4-Methyl-2-phenyl-2-pentenal
| Internal ID | 6f828738-33c1-4e26-ac2c-0908ecd2a8e8 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenylacetaldehydes |
| IUPAC Name | 4-methyl-2-phenylpent-2-enal |
| SMILES (Canonical) | CC(C)C=C(C=O)C1=CC=CC=C1 |
| SMILES (Isomeric) | CC(C)C=C(C=O)C1=CC=CC=C1 |
| InChI | InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3 |
| InChI Key | ULRYRAHIBWLZKC-UHFFFAOYSA-N |
| Popularity | 11 references in papers |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.24 g/mol |
| Exact Mass | 174.104465066 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 2.90 |
| 26643-91-4 |
| 4-Methyl-2-phenyl-2-pentenal |
| Benzeneacetaldehyde, alpha-(2-methylpropylidene)- |
| Benzeneacetaldehyde, .alpha.-(2-methylpropylidene)- |
| DTXSID80865311 |
| ULRYRAHIBWLZKC-UHFFFAOYSA-N |
| FT-0619020 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.97% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.56% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.79% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.99% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.32% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.67% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.56% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.31% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.20% | 98.75% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.05% | 87.67% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 80.78% | 98.33% |
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.
| Theobroma cacao |
| PubChem | 540124 |
| LOTUS | LTS0166714 |
| wikiData | Q72495096 |