7,9-dibromo-4,6-dihydroxy-3a,8-dimethyl-1-propan-2-yl-2,3,4,9b-tetrahydro-1H-cyclopenta[a]naphthalen-5-one
| Internal ID | e68e6606-a57e-4663-a94b-db24d87c88b5 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 7,9-dibromo-4,6-dihydroxy-3a,8-dimethyl-1-propan-2-yl-2,3,4,9b-tetrahydro-1H-cyclopenta[a]naphthalen-5-one |
| SMILES (Canonical) | CC1=C(C2=C(C(=O)C(C3(C2C(CC3)C(C)C)C)O)C(=C1Br)O)Br |
| SMILES (Isomeric) | CC1=C(C2=C(C(=O)C(C3(C2C(CC3)C(C)C)C)O)C(=C1Br)O)Br |
| InChI | InChI=1S/C18H22Br2O3/c1-7(2)9-5-6-18(4)12(9)10-11(16(22)17(18)23)15(21)14(20)8(3)13(10)19/h7,9,12,17,21,23H,5-6H2,1-4H3 |
| InChI Key | GUPRBKUOJAPSTB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22Br2O3 |
| Molecular Weight | 446.20 g/mol |
| Exact Mass | 445.99152 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 7,9-dibromo-4,6-dihydroxy-3a,8-dimethyl-1-propan-2-yl-2,3,4,9b-tetrahydro-1H-cyclopenta[a]naphthalen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/b8743610-85e8-11ee-bc4f-6324a5be0513.jpg "2D Structure of 7,9-dibromo-4,6-dihydroxy-3a,8-dimethyl-1-propan-2-yl-2,3,4,9b-tetrahydro-1H-cyclopenta[a]naphthalen-5-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.93% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.53% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.69% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 94.64% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.33% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.41% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.57% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.37% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.10% | 91.79% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.67% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.49% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.38% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.27% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.82% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.51% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.45% | 93.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.19% | 93.04% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.38% | 93.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.55% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.04% | 96.09% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.03% | 95.34% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.51% | 99.15% |
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 | 162842070 |
| LOTUS | LTS0164591 |
| wikiData | Q104167502 |