(8-acetyloxy-10-hydroperoxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-5-yl) acetate
| Internal ID | c48d0eba-54f0-498a-8909-620fd4011146 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | (8-acetyloxy-10-hydroperoxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-5-yl) acetate |
| SMILES (Canonical) | CC1=CC(CC(CC2C(CC1OC(=O)C)C(=C)C(=O)O2)(C)OO)OC(=O)C |
| SMILES (Isomeric) | CC1=CC(CC(CC2C(CC1OC(=O)C)C(=C)C(=O)O2)(C)OO)OC(=O)C |
| InChI | InChI=1S/C19H26O8/c1-10-6-14(24-12(3)20)8-19(5,27-23)9-17-15(11(2)18(22)26-17)7-16(10)25-13(4)21/h6,14-17,23H,2,7-9H2,1,3-5H3 |
| InChI Key | QSTVRQLWSFTDDH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O8 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (8-acetyloxy-10-hydroperoxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-5-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c4f6ff60-8803-11ee-ab79-93620bd468d2.jpg "2D Structure of (8-acetyloxy-10-hydroperoxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-5-yl) acetate")
| 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 | 97.98% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.45% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.42% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.26% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.52% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.78% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.65% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.02% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.38% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.15% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.80% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.31% | 97.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.98% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.94% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.87% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.96% | 93.03% |
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.
| Artemisia lancea |
| PubChem | 162849433 |
| LOTUS | LTS0170598 |
| wikiData | Q105227356 |