(1R,2S,4S)-2-bromo-4-[(E,2S)-4-[(1R,3S)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-2-hydroxybut-3-en-2-yl]-1-methylcyclohexan-1-ol
| Internal ID | 87816119-8c47-45ba-96b7-d217d9f0062b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2S,4S)-2-bromo-4-[(E,2S)-4-[(1R,3S)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-2-hydroxybut-3-en-2-yl]-1-methylcyclohexan-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32Br2O2/c1-13-6-7-16(21)18(2,3)15(13)9-11-19(4,23)14-8-10-20(5,24)17(22)12-14/h9,11,14-17,23-24H,1,6-8,10,12H2,2-5H3/b11-9+/t14-,15+,16-,17-,19+,20+/m0/s1 |
| InChI Key | BJRGCOCQXMDCDB-NKKWLVIOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32Br2O2 |
| Molecular Weight | 464.30 g/mol |
| Exact Mass | 464.07486 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (1R,2S,4S)-2-bromo-4-[(E,2S)-4-[(1R,3S)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-2-hydroxybut-3-en-2-yl]-1-methylcyclohexan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/dafb9f00-84ba-11ee-ae6a-2dd790940eed.jpg "2D Structure of (1R,2S,4S)-2-bromo-4-[(E,2S)-4-[(1R,3S)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-2-hydroxybut-3-en-2-yl]-1-methylcyclohexan-1-ol")
| 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 | 99.18% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.06% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.68% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.49% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.43% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.72% | 92.51% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.58% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.18% | 97.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.44% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.18% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.83% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.72% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.55% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.13% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.85% | 97.05% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.55% | 90.24% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.15% | 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 | 162919997 |
| LOTUS | LTS0189616 |
| wikiData | Q104937288 |