4-Bromo-2-(3-hydroxy-3-methylpent-4-enyl)-3-(4-hydroxy-4-methylpent-2-enyl)-1,3-dimethylcyclohexan-1-ol
| Internal ID | a520c944-6bc0-495c-adf8-1461d8b73e0e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4-bromo-2-(3-hydroxy-3-methylpent-4-enyl)-3-(4-hydroxy-4-methylpent-2-enyl)-1,3-dimethylcyclohexan-1-ol |
| SMILES (Canonical) | CC1(CCC(C(C1CCC(C)(C=C)O)(C)CC=CC(C)(C)O)Br)O |
| SMILES (Isomeric) | CC1(CCC(C(C1CCC(C)(C=C)O)(C)CC=CC(C)(C)O)Br)O |
| InChI | InChI=1S/C20H35BrO3/c1-7-18(4,23)13-9-15-19(5,12-8-11-17(2,3)22)16(21)10-14-20(15,6)24/h7-8,11,15-16,22-24H,1,9-10,12-14H2,2-6H3 |
| InChI Key | FKRGJYXGAOPGOH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H35BrO3 |
| Molecular Weight | 403.40 g/mol |
| Exact Mass | 402.17696 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.60 |
| 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 | 98.30% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.04% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.52% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.40% | 90.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 88.98% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.65% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.93% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.33% | 85.94% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.69% | 95.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.65% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.12% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.03% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.44% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.01% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.13% | 91.07% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.03% | 96.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.83% | 97.47% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.78% | 89.34% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.95% | 93.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.88% | 96.47% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.38% | 90.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162923466 |
| LOTUS | LTS0215510 |
| wikiData | Q104996758 |