4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
| Internal ID | fe7e6e97-f79b-4ea3-9c8b-11c47883d8ca |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4-bromo-2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-5-methylphenol |
| SMILES (Canonical) | CC1=CC(=C(C=C1Br)C2(CCC3C2(C3)C)C)O |
| SMILES (Isomeric) | CC1=CC(=C(C=C1Br)C2(CCC3C2(C3)C)C)O |
| InChI | InChI=1S/C15H19BrO/c1-9-6-13(17)11(7-12(9)16)14(2)5-4-10-8-15(10,14)3/h6-7,10,17H,4-5,8H2,1-3H3 |
| InChI Key | UGGAHNIITODSKB-UHFFFAOYSA-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 | 5.30 |
| 4-bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol |
| 4-bromo-2-(1,2-dimethyl-2-bicyclo[3.1.0]hexanyl)-5-methylphenol |
| NSC 248546 |
| DTXSID40909508 |
| NSC248546 |
| NSC-248546 |
| 4-Bromo-2-(1,2-dimethylbicyclo(3.1.0)hex-2-yl)-5-methylphenol (1S-(1alpha,2beta,5alpha))- |
| Phenol, 4-bromo-2-(1,2-dimethylbicyclo(3.1.0)hex-2-yl)-5-methyl-, (1S-(1alpha,2beta,5alpha))- |
| 4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hexan-2-yl)-5-methylphenol |
![2D Structure of 4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-bromo-2-12-dimethylbicyclo310hex-2-yl-5-methylphenol.jpg "2D Structure of 4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-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 | 97.73% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.17% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.84% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.77% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.74% | 93.40% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.52% | 89.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.27% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.86% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.76% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.14% | 90.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.08% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.84% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.65% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.36% | 90.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.90% | 93.04% |
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 | 99883 |
| LOTUS | LTS0075004 |
| wikiData | Q105272328 |