5-methyl-3-oxo-3-pentadecoxy-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one
| Internal ID | b144a66d-0106-44ba-9f19-5830024b6653 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 5-methyl-3-oxo-3-pentadecoxy-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCOP1(=O)OCC2COC(=O)C2=C(O1)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCOP1(=O)OCC2COC(=O)C2=C(O1)C |
| InChI | InChI=1S/C22H39O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-29(24)27-18-20-17-25-22(23)21(20)19(2)28-29/h20H,3-18H2,1-2H3 |
| InChI Key | BHKGHKHKDXVQJF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H39O6P |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.24842596 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 5-methyl-3-oxo-3-pentadecoxy-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-pentadecoxy-88a-dihydro-1h-furo34-e132dioxaphosphepin-6-one.jpg "2D Structure of 5-methyl-3-oxo-3-pentadecoxy-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 | 96.67% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.29% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.21% | 85.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.86% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.22% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.53% | 92.08% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 86.14% | 80.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.86% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.89% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.79% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.41% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.09% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.69% | 91.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.71% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.38% | 96.09% |
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.
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| There are no matching plants. |
| PubChem | 9888920 |
| LOTUS | LTS0081831 |
| wikiData | Q103816742 |