2-methyl-4-[2,6,15-trihydroxy-15-[5-(1-hydroxyundecyl)oxolan-2-yl]-8-oxopentadecyl]-2H-furan-5-one
| Internal ID | db962dfc-b436-4380-900e-b94a5227d386 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 2-methyl-4-[2,6,15-trihydroxy-15-[5-(1-hydroxyundecyl)oxolan-2-yl]-8-oxopentadecyl]-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCC(C1CCC(O1)C(CCCCCCC(=O)CC(CCCC(CC2=CC(OC2=O)C)O)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCC(C1CCC(O1)C(CCCCCCC(=O)CC(CCCC(CC2=CC(OC2=O)C)O)O)O)O |
| InChI | InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-13-19-31(39)33-21-22-34(43-33)32(40)20-14-11-10-12-16-29(37)25-30(38)18-15-17-28(36)24-27-23-26(2)42-35(27)41/h23,26,28,30-34,36,38-40H,3-22,24-25H2,1-2H3 |
| InChI Key | GHEKIGMRUQZXTB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H62O8 |
| Molecular Weight | 610.90 g/mol |
| Exact Mass | 610.44446893 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 2-methyl-4-[2,6,15-trihydroxy-15-[5-(1-hydroxyundecyl)oxolan-2-yl]-8-oxopentadecyl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-methyl-4-2615-trihydroxy-15-5-1-hydroxyundecyloxolan-2-yl-8-oxopentadecyl-2h-furan-5-one.jpg "2D Structure of 2-methyl-4-[2,6,15-trihydroxy-15-[5-(1-hydroxyundecyl)oxolan-2-yl]-8-oxopentadecyl]-2H-furan-5-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 | 98.27% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.27% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.48% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.55% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.91% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.91% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.80% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.29% | 92.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.94% | 97.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.87% | 94.66% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.72% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.71% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.38% | 89.63% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.10% | 92.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.20% | 91.81% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.29% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.20% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.00% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.85% | 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 montana |
| PubChem | 85245581 |
| LOTUS | LTS0070947 |
| wikiData | Q105008476 |