2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylphenol
| Internal ID | cc8ff038-9150-428c-944b-af08550772af |
| Taxonomy | Benzenoids > Phenols > Cresols > Meta cresols |
| IUPAC Name | 2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylphenol |
| SMILES (Canonical) | CC1=CC(=C(C=C1)C2(COC(O2)(C)C)CO)O |
| SMILES (Isomeric) | CC1=CC(=C(C=C1)[C@]2(COC(O2)(C)C)CO)O |
| InChI | InChI=1S/C13H18O4/c1-9-4-5-10(11(15)6-9)13(7-14)8-16-12(2,3)17-13/h4-6,14-15H,7-8H2,1-3H3/t13-/m1/s1 |
| InChI Key | PLNWGQHTSFMIJY-CYBMUJFWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H18O4 |
| Molecular Weight | 238.28 g/mol |
| Exact Mass | 238.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylphenol](https://plantaedb.com/storage/docs/compounds/2023/11/2-4r-4-hydroxymethyl-22-dimethyl-13-dioxolan-4-yl-5-methylphenol.jpg "2D Structure of 2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-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 | 98.42% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.04% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.95% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.22% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.81% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.70% | 90.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.40% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.32% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.23% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.54% | 90.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.38% | 93.18% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.88% | 94.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.79% | 94.62% |
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.
| Ageratina glechonophylla |
| Centipeda minima |
| PubChem | 162876331 |
| LOTUS | LTS0138575 |
| wikiData | Q105211071 |