(3R,8aR)-3-(14-methylpentadecoxy)-3-oxo-5-propyl-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one
| Internal ID | fde025bf-bd1f-4e6c-9951-e332effbbc4a |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (3R,8aR)-3-(14-methylpentadecoxy)-3-oxo-5-propyl-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H45O6P/c1-4-16-23-24-22(19-28-25(24)26)20-30-32(27,31-23)29-18-15-13-11-9-7-5-6-8-10-12-14-17-21(2)3/h21-22H,4-20H2,1-3H3/t22-,32-/m1/s1 |
| InChI Key | SYOULUNKPBFPTF-APYJYERMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H45O6P |
| Molecular Weight | 472.60 g/mol |
| Exact Mass | 472.29537615 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of (3R,8aR)-3-(14-methylpentadecoxy)-3-oxo-5-propyl-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/bf2ccf40-8434-11ee-9990-15e1acdccb47.jpg "2D Structure of (3R,8aR)-3-(14-methylpentadecoxy)-3-oxo-5-propyl-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 | 98.27% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.64% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.74% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.54% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.23% | 97.25% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.01% | 92.88% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.63% | 85.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.87% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.63% | 90.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.62% | 97.21% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.15% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.50% | 95.93% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.31% | 93.31% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.24% | 89.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.75% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.63% | 96.47% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.57% | 92.12% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.22% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.45% | 94.66% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.39% | 98.59% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.88% | 95.34% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.78% | 91.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.90% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.60% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.25% | 85.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.71% | 99.23% |
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 | 11145153 |
| LOTUS | LTS0133461 |
| wikiData | Q105263708 |