Methyl 4-decanoyloxy-3-(2-methylbutanoyloxy)-5-(2-methylpropanoyloxy)cyclohexene-1-carboxylate
| Internal ID | d4cdbd9b-de7c-4019-bcae-c747305b4d7d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | methyl 4-decanoyloxy-3-(2-methylbutanoyloxy)-5-(2-methylpropanoyloxy)cyclohexene-1-carboxylate |
| SMILES (Canonical) | CCCCCCCCCC(=O)OC1C(CC(=CC1OC(=O)C(C)CC)C(=O)OC)OC(=O)C(C)C |
| SMILES (Isomeric) | CCCCCCCCCC(=O)OC1C(CC(=CC1OC(=O)C(C)CC)C(=O)OC)OC(=O)C(C)C |
| InChI | InChI=1S/C27H44O8/c1-7-9-10-11-12-13-14-15-23(28)35-24-21(33-25(29)18(3)4)16-20(27(31)32-6)17-22(24)34-26(30)19(5)8-2/h17-19,21-22,24H,7-16H2,1-6H3 |
| InChI Key | PMDCKDXMRHEFLJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H44O8 |
| Molecular Weight | 496.60 g/mol |
| Exact Mass | 496.30361836 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
| 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 | 99.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.55% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.12% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.64% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.02% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.35% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.87% | 98.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.43% | 92.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.25% | 90.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.77% | 89.63% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.67% | 95.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.20% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.76% | 97.29% |
| CHEMBL4179 | P45984 | c-Jun N-terminal kinase 2 | 85.55% | 90.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.98% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.96% | 97.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.63% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.53% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.35% | 85.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.98% | 95.89% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.18% | 97.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.16% | 91.81% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.36% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 81.03% | 97.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.92% | 92.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.79% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.65% | 91.19% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.43% | 96.25% |
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.
| Senecio lividus |
| PubChem | 13855839 |
| LOTUS | LTS0133369 |
| wikiData | Q105211404 |