(1-Hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2-methylbutanoate
| Internal ID | 8d2a4075-e99b-425e-ac86-419cae29f12b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1CCC2(CC(=O)C(=C(C)C)CC2C1(C)O)C |
| SMILES (Isomeric) | CCC(C)C(=O)OC1CCC2(CC(=O)C(=C(C)C)CC2C1(C)O)C |
| InChI | InChI=1S/C20H32O4/c1-7-13(4)18(22)24-17-8-9-19(5)11-15(21)14(12(2)3)10-16(19)20(17,6)23/h13,16-17,23H,7-11H2,1-6H3 |
| InChI Key | GMBZSVSOQVRNDL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 3.80 |
| 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 | 98.56% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.49% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.79% | 83.82% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.93% | 98.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.55% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.03% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.80% | 97.79% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.61% | 85.30% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.24% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.61% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.55% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.12% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.90% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.60% | 93.04% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.90% | 89.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.00% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.26% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.93% | 93.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.92% | 89.00% |
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.
| Epaltes brasiliensis |
| PubChem | 163083841 |
| LOTUS | LTS0130106 |
| wikiData | Q105011637 |