Javoricin Formal
| Internal ID | 5049b5d5-c329-46de-bfb4-666b8c96a96c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (2S)-4-[(2R)-2-hydroxy-9-[(4R,7R)-7-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-1,3-dioxepan-4-yl]nonyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCC(C1CCC(O1)C2CCC(OCO2)CCCCCCCC(CC3=CC(OC3=O)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@H](OCO2)CCCCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O |
| InChI | InChI=1S/C36H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-32(38)33-23-24-35(43-33)34-22-21-31(40-27-41-34)19-16-13-11-12-15-18-30(37)26-29-25-28(2)42-36(29)39/h25,28,30-35,37-38H,3-24,26-27H2,1-2H3/t28-,30+,31+,32+,33+,34+,35+/m0/s1 |
| InChI Key | LAAZBSDOLUOJBG-SNBOQNFJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C36H64O7 |
| Molecular Weight | 608.90 g/mol |
| Exact Mass | 608.46520438 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 9.70 |
| CHEMBL445720 |
| 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 | 97.07% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.06% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.37% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.79% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.56% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.83% | 85.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.63% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.59% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.94% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.83% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.62% | 97.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.91% | 92.88% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.79% | 96.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.71% | 96.61% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.67% | 90.24% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.16% | 93.18% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 82.21% | 80.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.20% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.47% | 99.23% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.22% | 92.08% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 81.09% | 95.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.41% | 91.81% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.14% | 90.71% |
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 | 10603759 |
| LOTUS | LTS0052539 |
| wikiData | Q105148541 |