3-bromo-2a,4a,5,8-tetramethyl-2,3,4,8-tetrahydro-1H-cyclobuta[i]inden-7-one
| Internal ID | d146a3a6-fabd-46ed-8f71-65b204547346 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 3-bromo-2a,4a,5,8-tetramethyl-2,3,4,8-tetrahydro-1H-cyclobuta[i]inden-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H21BrO/c1-9-7-11(17)10(2)15-6-5-13(15,3)12(16)8-14(9,15)4/h7,10,12H,5-6,8H2,1-4H3 |
| InChI Key | YTKSDNZBVKIQLM-UHFFFAOYSA-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) | 17.10 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 3-bromo-2a,4a,5,8-tetramethyl-2,3,4,8-tetrahydro-1H-cyclobuta[i]inden-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-bromo-2a4a58-tetramethyl-2348-tetrahydro-1h-cyclobutaiinden-7-one.jpg "2D Structure of 3-bromo-2a,4a,5,8-tetramethyl-2,3,4,8-tetrahydro-1H-cyclobuta[i]inden-7-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.05% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.75% | 86.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.61% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.45% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.93% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.66% | 98.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.25% | 94.78% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.87% | 82.69% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.18% | 96.43% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.56% | 93.40% |
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.
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| There are no matching plants. |
| PubChem | 73838044 |
| LOTUS | LTS0081733 |
| wikiData | Q105361629 |