2-[(2,4-Dimethoxy-6-methylphenyl)methyl]-2-(hydroxymethyl)-3-methylcyclopentan-1-one
| Internal ID | 4d466637-95a6-48f5-ad96-9bbb634efb0c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 2-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-(hydroxymethyl)-3-methylcyclopentan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H24O4/c1-11-7-13(20-3)8-15(21-4)14(11)9-17(10-18)12(2)5-6-16(17)19/h7-8,12,18H,5-6,9-10H2,1-4H3 |
| InChI Key | QNUWWXUBTHSGPY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O4 |
| Molecular Weight | 292.40 g/mol |
| Exact Mass | 292.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 2-[(2,4-Dimethoxy-6-methylphenyl)methyl]-2-(hydroxymethyl)-3-methylcyclopentan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-24-dimethoxy-6-methylphenylmethyl-2-hydroxymethyl-3-methylcyclopentan-1-one.jpg "2D Structure of 2-[(2,4-Dimethoxy-6-methylphenyl)methyl]-2-(hydroxymethyl)-3-methylcyclopentan-1-one")
| 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 | 94.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.11% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.02% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.36% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.77% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.68% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.32% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.66% | 92.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.38% | 93.18% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.88% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.86% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.72% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.49% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.18% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.44% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.92% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.43% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.39% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162815127 |
| LOTUS | LTS0181098 |
| wikiData | Q104196011 |