7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b]benzofuran
| Internal ID | 84e26d3f-b96e-4453-80bc-879ef6b0d51c |
| Taxonomy | Organoheterocyclic compounds > Coumarans |
| IUPAC Name | 7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H19BrO/c1-9-7-13-11(8-12(9)16)14(3)6-5-10(2)15(14,4)17-13/h7-8,10H,5-6H2,1-4H3 |
| InChI Key | AZMIIVUEOLBHBL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H19BrO |
| Molecular Weight | 295.21 g/mol |
| Exact Mass | 294.06193 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 4.90 |
| 6790-63-2 |
| NSC-305227 |
| CHEMBL1971985 |
| DTXSID20987263 |
| NCI60_002577 |
| 7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b]benzofuran |
| 11-bromo-2,5,6,10-tetramethyl-7-oxatricyclo[6.4.0.0?,?]dodeca-1(12),8,10-triene |
| 7-bromo-3,3a,6,8b-tetramethyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan |
| (3S)-7-Bromo-2,3,3a,8b-tetrahydro-3,3abeta,6,8bbeta-tetramethyl-1H-cyclopenta[b]benzofuran |
![2D Structure of 7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b]benzofuran](https://plantaedb.com/storage/docs/compounds/2023/11/7-bromo-33a68b-tetramethyl-23-dihydro-1h-cyclopentabbenzofuran.jpg "2D Structure of 7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b]benzofuran")
| 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 | 96.35% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.33% | 94.80% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 91.49% | 86.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.81% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.00% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.01% | 90.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.35% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.66% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.85% | 96.43% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.09% | 89.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.57% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.48% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.90% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.47% | 97.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.05% | 82.38% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.49% | 98.99% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.40% | 80.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.07% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.06% | 93.18% |
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 | 99997 |
| LOTUS | LTS0093028 |
| wikiData | Q104921789 |