(1R,2S,4S)-2-bromo-4-[(2Z,4E)-6-hydroxy-6,10-dimethylundeca-2,4,9-trien-2-yl]-1-methylcyclohexan-1-ol
| Internal ID | ed24cb42-61c4-490a-967b-3fd22d396274 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1R,2S,4S)-2-bromo-4-[(2Z,4E)-6-hydroxy-6,10-dimethylundeca-2,4,9-trien-2-yl]-1-methylcyclohexan-1-ol |
| SMILES (Canonical) | CC(=CCCC(C)(C=CC=C(C)C1CCC(C(C1)Br)(C)O)O)C |
| SMILES (Isomeric) | CC(=CCCC(C)(/C=C/C=C(/C)\[C@H]1CC[C@@]([C@H](C1)Br)(C)O)O)C |
| InChI | InChI=1S/C20H33BrO2/c1-15(2)8-6-11-19(4,22)12-7-9-16(3)17-10-13-20(5,23)18(21)14-17/h7-9,12,17-18,22-23H,6,10-11,13-14H2,1-5H3/b12-7+,16-9-/t17-,18-,19?,20+/m0/s1 |
| InChI Key | JNQVRZLAPNDWBX-KKPLQRLXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H33BrO2 |
| Molecular Weight | 385.40 g/mol |
| Exact Mass | 384.16639 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (1R,2S,4S)-2-bromo-4-[(2Z,4E)-6-hydroxy-6,10-dimethylundeca-2,4,9-trien-2-yl]-1-methylcyclohexan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2670e4d0-85d4-11ee-870d-93b0237f1af9.jpg "2D Structure of (1R,2S,4S)-2-bromo-4-[(2Z,4E)-6-hydroxy-6,10-dimethylundeca-2,4,9-trien-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 | 98.49% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.30% | 91.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.71% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.86% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.52% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.85% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.74% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.66% | 96.43% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.47% | 95.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.48% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.29% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.95% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.74% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.58% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.40% | 97.05% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.40% | 91.03% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.96% | 95.50% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.79% | 97.64% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.75% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.24% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.21% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.15% | 95.58% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.46% | 96.90% |
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 | 101087007 |
| LOTUS | LTS0125643 |
| wikiData | Q104667122 |