methyl (3aS,6E,10R,11aR)-10-(acetyloxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-6-carboxylate
| Internal ID | 41a08af8-cf9b-43e3-b000-fc9dcb432d5c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | methyl (3aS,6E,10R,11aR)-10-(acetyloxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-6-carboxylate |
| SMILES (Canonical) | CC(=O)OCC1CCC=C(CCC2C(C1)OC(=O)C2=C)C(=O)OC |
| SMILES (Isomeric) | CC(=O)OC[C@@H]1CC/C=C(\CC[C@@H]2[C@@H](C1)OC(=O)C2=C)/C(=O)OC |
| InChI | InChI=1S/C18H24O6/c1-11-15-8-7-14(18(21)22-3)6-4-5-13(10-23-12(2)19)9-16(15)24-17(11)20/h6,13,15-16H,1,4-5,7-10H2,2-3H3/b14-6+/t13-,15+,16-/m1/s1 |
| InChI Key | DRSUBRLQXQEHHE-PJWMVSAYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H24O6 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of methyl (3aS,6E,10R,11aR)-10-(acetyloxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-6-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/fa035da0-8546-11ee-b8ce-c95bfb945f1b.jpg "2D Structure of methyl (3aS,6E,10R,11aR)-10-(acetyloxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-6-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.96% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.18% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.74% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.97% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.65% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.78% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.94% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.58% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.44% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.04% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.90% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.61% | 94.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.55% | 95.89% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.40% | 97.78% |
| CHEMBL5028 | O14672 | ADAM10 | 81.31% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.78% | 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.
| Oyedaea verbesinoides |
| PubChem | 162921130 |
| LOTUS | LTS0064265 |
| wikiData | Q104987620 |