Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
| Internal ID | d0a23eda-1753-40b8-8912-72e861938041 |
| Taxonomy | Organoheterocyclic compounds > Azoles > Oxazoles > Phenyl-1,3-oxazoles |
| IUPAC Name | 5-[4-(3-methylbut-2-enoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole |
| SMILES (Canonical) | CC(=CCOC1=CC=C(C=C1)C2=CN=C(O2)C3=CN=CC=C3)C |
| SMILES (Isomeric) | CC(=CCOC1=CC=C(C=C1)C2=CN=C(O2)C3=CN=CC=C3)C |
| InChI | InChI=1S/C19H18N2O2/c1-14(2)9-11-22-17-7-5-15(6-8-17)18-13-21-19(23-18)16-4-3-10-20-12-16/h3-10,12-13H,11H2,1-2H3 |
| InChI Key | CPMFTHYYYPZYOB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H18N2O2 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.136827821 g/mol |
| Topological Polar Surface Area (TPSA) | 48.20 Ų |
| XlogP | 4.10 |
| 17190-80-6 |
| (3,3-Dimethylallyl)halfordinol |
| O-Isopentenyl halfordinol |
| O-(3,3-Dimethylallyl)halfordinol |
| Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]- |
| 5-[4-(3-methylbut-2-enoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole |
| O-Prenylhalfordinol |
| CHEMBL4066077 |
| DTXSID20347025 |
| CHEBI:174930 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-](https://plantaedb.com/storage/docs/compounds/2023/11/pyridine-3-5-4-3-methyl-2-butenyloxyphenyl-2-oxazolyl-.jpg "2D Structure of Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-")
| 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 |
|---|---|---|---|---|
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 96.53% | 97.53% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.77% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.40% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 92.28% | 93.65% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.73% | 85.30% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.44% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.74% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.05% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 89.82% | 81.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.43% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.94% | 83.57% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.93% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.69% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.52% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.11% | 93.31% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.79% | 93.10% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 82.56% | 88.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.44% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.17% | 95.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.06% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.40% | 99.15% |
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.
| Amyris texana |
| PubChem | 617263 |
| LOTUS | LTS0221046 |
| wikiData | Q82120519 |