2-[(1S,3R,5S)-3-bromo-2,2,5-trimethylcyclopentyl]-5-methylphenol
| Internal ID | 19741ff6-0a01-4c52-975a-4c1e519a68f3 |
| Taxonomy | Benzenoids > Phenols > Cresols > Meta cresols |
| IUPAC Name | 2-[(1S,3R,5S)-3-bromo-2,2,5-trimethylcyclopentyl]-5-methylphenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H21BrO/c1-9-5-6-11(12(17)7-9)14-10(2)8-13(16)15(14,3)4/h5-7,10,13-14,17H,8H2,1-4H3/t10-,13+,14-/m0/s1 |
| InChI Key | MHWOCCKVFMTBKE-GDLCADMTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H21BrO |
| Molecular Weight | 297.23 g/mol |
| Exact Mass | 296.07758 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 2-[(1S,3R,5S)-3-bromo-2,2,5-trimethylcyclopentyl]-5-methylphenol](https://plantaedb.com/storage/docs/compounds/2023/11/2-1s3r5s-3-bromo-225-trimethylcyclopentyl-5-methylphenol.jpg "2D Structure of 2-[(1S,3R,5S)-3-bromo-2,2,5-trimethylcyclopentyl]-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 | 95.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.23% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.97% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.69% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.43% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.31% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.09% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.11% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.24% | 97.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.07% | 96.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.76% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.71% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.03% | 90.93% |
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.
| There are no matching plants. |
| PubChem | 162967086 |
| LOTUS | LTS0042804 |
| wikiData | Q105164313 |