(E)-3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
| Internal ID | 021275dc-9698-4307-ab5c-d5408255404a |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | (E)-3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol |
| SMILES (Canonical) | CC(=CCOC1=C(C=C(C=C1OC)C=CCO)OC)C |
| SMILES (Isomeric) | CC(=CCOC1=C(C=C(C=C1OC)/C=C/CO)OC)C |
| InChI | InChI=1S/C16H22O4/c1-12(2)7-9-20-16-14(18-3)10-13(6-5-8-17)11-15(16)19-4/h5-7,10-11,17H,8-9H2,1-4H3/b6-5+ |
| InChI Key | LJFSXCYUDNGDGD-AATRIKPKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.34 g/mol |
| Exact Mass | 278.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (E)-3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-35-dimethoxy-4-3-methylbut-2-enoxyphenylprop-2-en-1-ol.jpg "2D Structure of (E)-3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.55% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.10% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.99% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.40% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.12% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.33% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.31% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.81% | 94.45% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.46% | 92.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.40% | 96.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.30% | 92.68% |
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.
| Boronia pinnata |
| PubChem | 10636307 |
| LOTUS | LTS0153753 |
| wikiData | Q105152545 |