Methyl 7-(furan-3-yl)-15-hydroxy-9-methyl-5,14-dioxo-6,13-dioxatetracyclo[10.2.2.01,10.04,9]hexadecane-15-carboxylate
| Internal ID | 9b9f4f4a-3fae-4315-8bf6-4e1f4ac40611 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | methyl 7-(furan-3-yl)-15-hydroxy-9-methyl-5,14-dioxo-6,13-dioxatetracyclo[10.2.2.01,10.04,9]hexadecane-15-carboxylate |
| SMILES (Canonical) | CC12CC(OC(=O)C1CCC34C2CC(CC3(C(=O)OC)O)OC4=O)C5=COC=C5 |
| SMILES (Isomeric) | CC12CC(OC(=O)C1CCC34C2CC(CC3(C(=O)OC)O)OC4=O)C5=COC=C5 |
| InChI | InChI=1S/C21H24O8/c1-19-9-14(11-4-6-27-10-11)29-16(22)13(19)3-5-20-15(19)7-12(28-17(20)23)8-21(20,25)18(24)26-2/h4,6,10,12-15,25H,3,5,7-9H2,1-2H3 |
| InChI Key | OUWIDVMREVRKPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O8 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of Methyl 7-(furan-3-yl)-15-hydroxy-9-methyl-5,14-dioxo-6,13-dioxatetracyclo[10.2.2.01,10.04,9]hexadecane-15-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/0a34d2d0-8541-11ee-a7cd-1bb7346345a3.jpg "2D Structure of Methyl 7-(furan-3-yl)-15-hydroxy-9-methyl-5,14-dioxo-6,13-dioxatetracyclo[10.2.2.01,10.04,9]hexadecane-15-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 | 97.18% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.01% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.62% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.78% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.12% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.40% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.80% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.99% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.59% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.85% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.42% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.35% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.90% | 96.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.90% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.69% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.27% | 89.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.63% | 95.71% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.51% | 95.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.41% | 92.88% |
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.
| Dioscorea antaly |
| PubChem | 163008097 |
| LOTUS | LTS0142767 |
| wikiData | Q105200500 |