Cis-Murisolinone
| Internal ID | 9740bb95-c133-4ba0-8231-bcb53431699b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (3R,5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxydodecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H62O6/c1-3-4-5-6-7-8-12-15-18-21-30(36)32-23-24-33(40-32)31(37)22-19-16-13-10-9-11-14-17-20-29-26-28(25-27(2)35)34(38)39-29/h28-33,36-37H,3-26H2,1-2H3/t28-,29+,30+,31+,32+,33+/m0/s1 |
| InChI Key | USFLRIYXFWLSMW-BKHLKZOLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H62O6 |
| Molecular Weight | 566.90 g/mol |
| Exact Mass | 566.45463969 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 9.40 |
| CHEMBL461414 |
| CHEBI:176144 |
| (3R,5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxydodecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.44% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.48% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.45% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.30% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.60% | 97.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.65% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.40% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.01% | 89.63% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.44% | 90.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.22% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.89% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.07% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.88% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.67% | 90.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.44% | 92.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.58% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.56% | 91.19% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.24% | 85.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.85% | 99.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.39% | 92.88% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.28% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.73% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.60% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.60% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.45% | 95.89% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.40% | 92.08% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.34% | 97.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.13% | 95.00% |
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.
| Asimina triloba |
| PubChem | 10483058 |
| LOTUS | LTS0053629 |
| wikiData | Q105278179 |