1-Bromo-8a-(bromomethyl)-4-hydroxy-4,10a-dimethyl-8-propan-2-yl-1,2,4a,4b,7,8,9,10-octahydrophenanthren-3-one
| Internal ID | be862c22-87eb-4720-9bc1-b481cc5b65f6 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | 1-bromo-8a-(bromomethyl)-4-hydroxy-4,10a-dimethyl-8-propan-2-yl-1,2,4a,4b,7,8,9,10-octahydrophenanthren-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30Br2O2/c1-12(2)13-6-5-7-14-17-18(3,8-9-20(13,14)11-21)15(22)10-16(23)19(17,4)24/h5,7,12-15,17,24H,6,8-11H2,1-4H3 |
| InChI Key | MLLBLQBCKASCLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30Br2O2 |
| Molecular Weight | 462.30 g/mol |
| Exact Mass | 462.05921 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.80% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.57% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.46% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.23% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.21% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.03% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.14% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.12% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.20% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.03% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.48% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.77% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.17% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.76% | 97.09% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 80.58% | 100.00% |
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 | 75180466 |
| LOTUS | LTS0207539 |
| wikiData | Q105166798 |