Methyl 10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-9-hydroxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate
| Internal ID | aee3b975-8e2e-4f6b-a463-f85b0b67bfd5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | methyl 10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-9-hydroxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H28O11/c1-9-7-14-16(10(2)20(26)33-14)19(34-22(28)23(5,29)11(3)31-12(4)24)17(25)13(21(27)30-6)8-15-18(9)32-15/h7-8,11,14-19,25,29H,2H2,1,3-6H3 |
| InChI Key | SNMATYHYPYRPFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O11 |
| Molecular Weight | 480.50 g/mol |
| Exact Mass | 480.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of Methyl 10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-9-hydroxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ea818360-8620-11ee-a70d-eb8afefc8118.jpg "2D Structure of Methyl 10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-9-hydroxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.68% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.57% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.30% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.34% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.72% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.62% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.51% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.94% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.57% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.98% | 97.21% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.34% | 90.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.25% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 81.98% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.46% | 89.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.54% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.32% | 91.07% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.28% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.03% | 91.19% |
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.
| Melampodium americanum |
| PubChem | 163005991 |
| LOTUS | LTS0083732 |
| wikiData | Q105256552 |