5-methyl-3-oxo-3-(12-oxohexadecoxy)-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one
| Internal ID | 949cf543-5f8b-43ae-a64f-4d4d7b24449c |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 5-methyl-3-oxo-3-(12-oxohexadecoxy)-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H39O7P/c1-3-4-14-21(24)15-12-10-8-6-5-7-9-11-13-16-28-31(26)29-18-20-17-27-23(25)22(20)19(2)30-31/h20H,3-18H2,1-2H3 |
| InChI Key | OPNLFNJWZHCEQY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H39O7P |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.24334058 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 5-methyl-3-oxo-3-(12-oxohexadecoxy)-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methyl-3-oxo-3-12-oxohexadecoxy-88a-dihydro-1h-furo34-e132dioxaphosphepin-6-one.jpg "2D Structure of 5-methyl-3-oxo-3-(12-oxohexadecoxy)-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.08% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.79% | 85.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.67% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.44% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.41% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.75% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.75% | 95.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.45% | 91.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.92% | 96.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.85% | 90.08% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.83% | 92.08% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.48% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.24% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.09% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.57% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.52% | 92.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.19% | 97.21% |
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.
| There are no matching plants. |
| PubChem | 10182923 |
| LOTUS | LTS0202225 |
| wikiData | Q104193596 |