1-[5-(1-Hydroxyethyl)-2-methoxyphenyl]-3-methylbut-2-en-1-one
| Internal ID | 67ab1109-8eef-4233-b746-9087f8a611ce |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoyl derivatives |
| IUPAC Name | 1-[5-(1-hydroxyethyl)-2-methoxyphenyl]-3-methylbut-2-en-1-one |
| SMILES (Canonical) | CC(C1=CC(=C(C=C1)OC)C(=O)C=C(C)C)O |
| SMILES (Isomeric) | CC(C1=CC(=C(C=C1)OC)C(=O)C=C(C)C)O |
| InChI | InChI=1S/C14H18O3/c1-9(2)7-13(16)12-8-11(10(3)15)5-6-14(12)17-4/h5-8,10,15H,1-4H3 |
| InChI Key | KYKMIUJSMAJYRA-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 | 2.50 |
| There are no found synonyms. |
![2D Structure of 1-[5-(1-Hydroxyethyl)-2-methoxyphenyl]-3-methylbut-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-5-1-hydroxyethyl-2-methoxyphenyl-3-methylbut-2-en-1-one.jpg "2D Structure of 1-[5-(1-Hydroxyethyl)-2-methoxyphenyl]-3-methylbut-2-en-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.38% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.05% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.46% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.49% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.74% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.42% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.85% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.58% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.02% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.32% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.56% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.16% | 89.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.07% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.96% | 90.71% |
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.
| Urolepis hecatantha |
| PubChem | 162985345 |
| LOTUS | LTS0097350 |
| wikiData | Q105147752 |