3-(16-hydroxyhexadecoxy)-5-methyl-3-oxo-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one
| Internal ID | 5bd3781b-7b61-4ed6-89cb-dec3a854e078 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 3-(16-hydroxyhexadecoxy)-5-methyl-3-oxo-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H41O7P/c1-20-22-21(18-27-23(22)25)19-29-31(26,30-20)28-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-24/h21,24H,2-19H2,1H3 |
| InChI Key | OICNZFJRPGLYMO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H41O7P |
| Molecular Weight | 460.50 g/mol |
| Exact Mass | 460.25899064 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 3-(16-hydroxyhexadecoxy)-5-methyl-3-oxo-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-16-hydroxyhexadecoxy-5-methyl-3-oxo-88a-dihydro-1h-furo34-e132dioxaphosphepin-6-one.jpg "2D Structure of 3-(16-hydroxyhexadecoxy)-5-methyl-3-oxo-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 | 94.31% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.09% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.58% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.65% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.23% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.43% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.94% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.79% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.71% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.52% | 99.23% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.67% | 91.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.13% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.03% | 86.33% |
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 | 10183042 |
| LOTUS | LTS0074355 |
| wikiData | Q104193388 |