3-[4-(3-Methylbut-2-enoxy)phenyl]propan-1-ol
| Internal ID | d4689796-7f44-4a9b-8e69-1ea4c4b6f54b |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | 3-[4-(3-methylbut-2-enoxy)phenyl]propan-1-ol |
| SMILES (Canonical) | CC(=CCOC1=CC=C(C=C1)CCCO)C |
| SMILES (Isomeric) | CC(=CCOC1=CC=C(C=C1)CCCO)C |
| InChI | InChI=1S/C14H20O2/c1-12(2)9-11-16-14-7-5-13(6-8-14)4-3-10-15/h5-9,15H,3-4,10-11H2,1-2H3 |
| InChI Key | JYSMWPSRMOZRPR-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.31 g/mol |
| Exact Mass | 220.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 3.30 |
| CHEMBL2022669 |
| SCHEMBL18265469 |
| Benzenepropanol, 4-[(3-methyl-2-butenyl)oxy]- |
![2D Structure of 3-[4-(3-Methylbut-2-enoxy)phenyl]propan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-3-methylbut-2-enoxyphenylpropan-1-ol.jpg "2D Structure of 3-[4-(3-Methylbut-2-enoxy)phenyl]propan-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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 96.12% | 92.51% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.16% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.85% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.96% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.49% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.24% | 94.45% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.27% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.22% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.02% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.18% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.67% | 86.92% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.97% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.53% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.72% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.45% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.62% | 95.93% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.45% | 93.81% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.17% | 97.29% |
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.
| Flindersia australis |
| Zanthoxylum wutaiense |
| Zanthoxylum zanthoxyloides |
| PubChem | 3009279 |
| LOTUS | LTS0197556 |
| wikiData | Q105137189 |