(1-Acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2-methylbutanoate
| Internal ID | 86c10291-cd54-4ef3-a74e-70ad39ac8a7c |
| 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-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1CCC2(CC(=O)C(=C(C)C)CC2C1(C)OC(=O)C)C |
| SMILES (Isomeric) | CCC(C)C(=O)OC1CCC2(CC(=O)C(=C(C)C)CC2C1(C)OC(=O)C)C |
| InChI | InChI=1S/C22H34O5/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/h14,18-19H,8-12H2,1-7H3 |
| InChI Key | XUOCIHJSRFXHHV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 4.40 |
| 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 | 99.06% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.41% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.92% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.63% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.38% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.54% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.37% | 97.79% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.73% | 85.30% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.18% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.08% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.87% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.68% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.52% | 89.50% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 84.55% | 89.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.86% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.28% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.36% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.12% | 93.04% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.12% | 94.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.74% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.22% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.59% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.36% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.27% | 96.77% |
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 | 162849161 |
| LOTUS | LTS0121379 |
| wikiData | Q105342447 |