[(3aR,4R,5Z,9E,11aS)-4-acetyloxy-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl acetate
| Internal ID | 60c9fbbd-772a-4d98-bfdc-79f17700ac8f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | [(3aR,4R,5Z,9E,11aS)-4-acetyloxy-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl acetate |
| SMILES (Canonical) | CC1=CCCC(=CC(C2C(C1)OC(=O)C2=C)OC(=O)C)COC(=O)C |
| SMILES (Isomeric) | C/C/1=C\CC/C(=C/[C@H]([C@H]2[C@H](C1)OC(=O)C2=C)OC(=O)C)/COC(=O)C |
| InChI | InChI=1S/C19H24O6/c1-11-6-5-7-15(10-23-13(3)20)9-17(24-14(4)21)18-12(2)19(22)25-16(18)8-11/h6,9,16-18H,2,5,7-8,10H2,1,3-4H3/b11-6+,15-9-/t16-,17+,18+/m0/s1 |
| InChI Key | AMTNJYJZXRRIJG-VKERITCJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24O6 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [(3aR,4R,5Z,9E,11aS)-4-acetyloxy-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c6074110-835a-11ee-8230-b3c29f244d15.jpg "2D Structure of [(3aR,4R,5Z,9E,11aS)-4-acetyloxy-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.69% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.09% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.01% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.26% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.79% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.78% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.75% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.70% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.33% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.76% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.60% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.92% | 97.09% |
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.
| Mattfeldanthus andrade-limae |
| PubChem | 11198847 |
| LOTUS | LTS0079378 |
| wikiData | Q104914944 |