Corepoxylone
| Internal ID | 55f7604d-8306-4918-b943-5ffa2d553fae |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 4-[12-[3-[2-(3-dodecyloxiran-2-yl)ethyl]oxiran-2-yl]-8-oxododecyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCC1C(O1)CCC2C(O2)CCCCC(=O)CCCCCCCC3=CC(OC3=O)C |
| SMILES (Isomeric) | CCCCCCCCCCCCC1C(O1)CCC2C(O2)CCCCC(=O)CCCCCCCC3=CC(OC3=O)C |
| InChI | InChI=1S/C35H60O5/c1-3-4-5-6-7-8-9-10-14-17-23-31-33(39-31)25-26-34-32(40-34)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)38-35(29)37/h27-28,31-34H,3-26H2,1-2H3 |
| InChI Key | HNFUHWXJCCMXEW-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C35H60O5 |
| Molecular Weight | 560.80 g/mol |
| Exact Mass | 560.44407501 g/mol |
| Topological Polar Surface Area (TPSA) | 68.40 Ų |
| XlogP | 10.40 |
| DTXSID201126976 |
| 2(5H)-Furanone, 3-[12-[3-[2-(3-dodecyloxiranyl)ethyl]oxiranyl]-8-oxododecyl]-5-methyl- |
| 154272-51-2 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.27% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.90% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.82% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.23% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.58% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.09% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.77% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.67% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.50% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.01% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.34% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.47% | 92.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.78% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.15% | 100.00% |
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.
| Annona muricata |
| PubChem | 73826182 |
| LOTUS | LTS0084207 |
| wikiData | Q105030847 |