Reticulatamol
| Internal ID | dc1b9b29-f105-410b-8f30-4eeaae2154b2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 4-(13-hydroxytriacontyl)-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC1=CC(OC1=O)C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC1=CC(OC1=O)C)O |
| InChI | InChI=1S/C35H66O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29-34(36)30-27-24-21-18-15-14-16-19-22-25-28-33-31-32(2)38-35(33)37/h31-32,34,36H,3-30H2,1-2H3 |
| InChI Key | IWBHCLOBTQKEFG-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C35H66O3 |
| Molecular Weight | 534.90 g/mol |
| Exact Mass | 534.50119596 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 14.70 |
| CHEBI:196643 |
| 4-(13-hydroxytriacontyl)-2-methyl-2H-uran-5-one |
| 3-(13-Hydroxytriacontyl)-5-methyl-2(5H)-furanone, 9CI |
| 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 | 96.64% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.18% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.77% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.82% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.49% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.75% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.38% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.33% | 95.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.22% | 85.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.66% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.49% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.24% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.23% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.42% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.67% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.26% | 89.63% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.49% | 96.37% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.28% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.80% | 99.23% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.31% | 93.31% |
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 reticulata |
| PubChem | 85355815 |
| LOTUS | LTS0068896 |
| wikiData | Q105121477 |