4-bromo-5-methyl-2-[(4R)-4,5,5-trimethylcyclopenten-1-yl]phenol
| Internal ID | 90eb05c5-c456-48b3-8340-76f4ad88b2fa |
| Taxonomy | Benzenoids > Phenols > Cresols > Meta cresols |
| IUPAC Name | 4-bromo-5-methyl-2-[(4R)-4,5,5-trimethylcyclopenten-1-yl]phenol |
| SMILES (Canonical) | CC1CC=C(C1(C)C)C2=C(C=C(C(=C2)Br)C)O |
| SMILES (Isomeric) | C[C@@H]1CC=C(C1(C)C)C2=C(C=C(C(=C2)Br)C)O |
| InChI | InChI=1S/C15H19BrO/c1-9-7-14(17)11(8-13(9)16)12-6-5-10(2)15(12,3)4/h6-8,10,17H,5H2,1-4H3/t10-/m1/s1 |
| InChI Key | QFKMNMWMWJGMHZ-SNVBAGLBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H19BrO |
| Molecular Weight | 295.21 g/mol |
| Exact Mass | 294.06193 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 4-bromo-5-methyl-2-[(4R)-4,5,5-trimethylcyclopenten-1-yl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-bromo-5-methyl-2-4r-455-trimethylcyclopenten-1-ylphenol.jpg "2D Structure of 4-bromo-5-methyl-2-[(4R)-4,5,5-trimethylcyclopenten-1-yl]phenol")
| 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 | 97.82% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.92% | 93.40% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 93.99% | 90.24% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.92% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.20% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.77% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.08% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.04% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.78% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.67% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.15% | 94.75% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.21% | 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 | 163083272 |
| LOTUS | LTS0146653 |
| wikiData | Q105219613 |