(2-Hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-7-yl) 2-methylbut-2-enoate
| Internal ID | 3f2a89ae-1b19-43d3-9299-54be7ee595d7 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (2-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-7-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CCC(C2(C1CC34C(C2O)(O3)C(C(=O)O4)C)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CCC(C2(C1CC34C(C2O)(O3)C(C(=O)O4)C)C)C |
| InChI | InChI=1S/C20H28O6/c1-6-10(2)15(21)24-14-8-7-11(3)18(5)13(14)9-19-20(26-19,17(18)23)12(4)16(22)25-19/h6,11-14,17,23H,7-9H2,1-5H3 |
| InChI Key | OVMSUOGTJXIEKB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (2-Hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-7-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/82cc73d0-858c-11ee-a946-bbd2f5580dc4.jpg "2D Structure of (2-Hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-7-yl) 2-methylbut-2-enoate")
| 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 | 97.39% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.71% | 96.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.84% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.83% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.49% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.60% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.19% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.98% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.46% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.93% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.61% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.25% | 96.43% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.08% | 97.05% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.36% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.78% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.27% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.01% | 97.28% |
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.
| Ligularia lamarum |
| Ligularia subspicata |
| PubChem | 163083780 |
| LOTUS | LTS0091183 |
| wikiData | Q105004383 |