(1-Acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2-methylbut-2-enoate
| Internal ID | 37faa561-9a30-4243-a818-e8d3e7f53716 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CCC2(CC(=O)C(=C(C)C)CC2C1(C)OC(=O)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CCC2(CC(=O)C(=C(C)C)CC2C1(C)OC(=O)C)C |
| InChI | InChI=1S/C22H32O5/c1-8-14(4)20(25)26-19-9-10-21(6)12-17(24)16(13(2)3)11-18(21)22(19,7)27-15(5)23/h8,18-19H,9-12H2,1-7H3 |
| InChI Key | DLLCYEYTXHAUTA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O5 |
| Molecular Weight | 376.50 g/mol |
| Exact Mass | 376.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.46% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.88% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 94.67% | 85.30% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.23% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.22% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.18% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.91% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.56% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.06% | 89.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.29% | 80.96% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.12% | 93.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 86.73% | 95.69% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.14% | 98.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.65% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.15% | 94.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.25% | 93.04% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.35% | 92.97% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.09% | 97.05% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.42% | 95.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.40% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.23% | 92.62% |
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 | 162876296 |
| LOTUS | LTS0128491 |
| wikiData | Q104984448 |