[(1R,2S,6R,7R,8E,10R,13R)-9-formyl-5-methylidene-4-oxospiro[3,14-dioxatricyclo[8.3.1.02,6]tetradec-8-ene-13,2'-oxirane]-7-yl] 2-methylprop-2-enoate
| Internal ID | 0166053e-dcfe-4920-8584-1f3a16f1b86e |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | [(1R,2S,6R,7R,8E,10R,13R)-9-formyl-5-methylidene-4-oxospiro[3,14-dioxatricyclo[8.3.1.02,6]tetradec-8-ene-13,2'-oxirane]-7-yl] 2-methylprop-2-enoate |
| SMILES (Canonical) | CC(=C)C(=O)OC1C=C(C2CCC3(CO3)C(O2)C4C1C(=C)C(=O)O4)C=O |
| SMILES (Isomeric) | CC(=C)C(=O)O[C@@H]1/C=C(\[C@H]2CC[C@@]3(CO3)[C@H](O2)[C@@H]4[C@@H]1C(=C)C(=O)O4)/C=O |
| InChI | InChI=1S/C19H20O7/c1-9(2)17(21)25-13-6-11(7-20)12-4-5-19(8-23-19)16(24-12)15-14(13)10(3)18(22)26-15/h6-7,12-16H,1,3-5,8H2,2H3/b11-6-/t12-,13-,14-,15+,16-,19-/m1/s1 |
| InChI Key | JWWBXYPZOAPANY-LIOXUXROSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O7 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 91.40 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,6R,7R,8E,10R,13R)-9-formyl-5-methylidene-4-oxospiro[3,14-dioxatricyclo[8.3.1.02,6]tetradec-8-ene-13,2'-oxirane]-7-yl] 2-methylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/a25a0510-855e-11ee-aa94-07b7d9b7571f.jpg "2D Structure of [(1R,2S,6R,7R,8E,10R,13R)-9-formyl-5-methylidene-4-oxospiro[3,14-dioxatricyclo[8.3.1.02,6]tetradec-8-ene-13,2'-oxirane]-7-yl] 2-methylprop-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 | 98.43% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 95.50% | 97.36% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.16% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.96% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.31% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.98% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.61% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.93% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.82% | 96.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.09% | 80.96% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.99% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.24% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.00% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.91% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.79% | 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.
| Milleria quinqueflora |
| PubChem | 162985151 |
| LOTUS | LTS0167907 |
| wikiData | Q105136408 |