5-[(2R)-4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-2-methylphenol
| Internal ID | 567baae5-0dd9-4896-a0cc-d57aab8729a7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 5-[(2R)-4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-2-methylphenol |
| SMILES (Canonical) | CC1=C(C=C(C=C1)C(C)CCC2C(O2)(C)C)O |
| SMILES (Isomeric) | CC1=C(C=C(C=C1)[C@H](C)CCC2C(O2)(C)C)O |
| InChI | InChI=1S/C15H22O2/c1-10(6-8-14-15(3,4)17-14)12-7-5-11(2)13(16)9-12/h5,7,9-10,14,16H,6,8H2,1-4H3/t10-,14?/m1/s1 |
| InChI Key | BQAQGBHVNVLESL-IAPIXIRKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 5-[(2R)-4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-2-methylphenol](https://plantaedb.com/storage/docs/compounds/2023/11/5-2r-4-33-dimethyloxiran-2-ylbutan-2-yl-2-methylphenol.jpg "2D Structure of 5-[(2R)-4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-2-methylphenol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.22% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.87% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.57% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.85% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.01% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.97% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.51% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.10% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.87% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.19% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.56% | 93.18% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.98% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.97% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.45% | 96.90% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.24% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.41% | 94.45% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.20% | 85.11% |
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.
| Iostephane heterophylla |
| PubChem | 162859202 |
| LOTUS | LTS0060993 |
| wikiData | Q103813389 |