(8-Acetyloxy-5-bromo-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl) acetate
| Internal ID | 4aed263b-ab7c-4c30-8ef1-c68c428b3f98 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (8-acetyloxy-5-bromo-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H31BrO4/c1-11(2)14-7-9-18(5)15(20)8-10-19(6,24-13(4)22)17(18)16(14)23-12(3)21/h11,14-17H,7-10H2,1-6H3 |
| InChI Key | SOZPSBKXHQXTOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H31BrO4 |
| Molecular Weight | 403.40 g/mol |
| Exact Mass | 402.14057 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.04% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.83% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.52% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.42% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.80% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.67% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.47% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.84% | 91.11% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.54% | 97.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.38% | 95.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.27% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.16% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.73% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.13% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.89% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.07% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.04% | 96.77% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.21% | 92.50% |
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 | 163043929 |
| LOTUS | LTS0232387 |
| wikiData | Q105257298 |