3-[4-(4-Hydroxy-3-methylbutoxy)phenyl]prop-2-enal
| Internal ID | 5da3f03a-97c0-481f-b2b1-251c4c9cee35 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamaldehydes |
| IUPAC Name | 3-[4-(4-hydroxy-3-methylbutoxy)phenyl]prop-2-enal |
| SMILES (Canonical) | CC(CCOC1=CC=C(C=C1)C=CC=O)CO |
| SMILES (Isomeric) | CC(CCOC1=CC=C(C=C1)C=CC=O)CO |
| InChI | InChI=1S/C14H18O3/c1-12(11-16)8-10-17-14-6-4-13(5-7-14)3-2-9-15/h2-7,9,12,16H,8,10-11H2,1H3 |
| InChI Key | JAJOZKSFIGKKGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.29 g/mol |
| Exact Mass | 234.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 3-[4-(4-Hydroxy-3-methylbutoxy)phenyl]prop-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-4-hydroxy-3-methylbutoxyphenylprop-2-enal.jpg "2D Structure of 3-[4-(4-Hydroxy-3-methylbutoxy)phenyl]prop-2-enal")
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.79% | 92.51% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.11% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.46% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.05% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.46% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.01% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.97% | 90.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.64% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.43% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.57% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.37% | 89.34% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.16% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.33% | 86.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.67% | 97.29% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.47% | 89.67% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.27% | 93.31% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.03% | 90.24% |
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.
| Aralia bipinnata |
| PubChem | 163013274 |
| LOTUS | LTS0173770 |
| wikiData | Q105123796 |