[(1R,4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate
| Internal ID | 3cd457d7-01b3-4556-a19b-d31b32c7af0d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | [(1R,4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate |
| SMILES (Canonical) | CCCCCCCCCCCCCCC(=O)C1(C(C=CC1OC(=O)C)OC(=O)C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC(=O)C1([C@@H](C=C[C@H]1OC(=O)C)OC(=O)C)O |
| InChI | InChI=1S/C24H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(27)24(28)22(29-19(2)25)17-18-23(24)30-20(3)26/h17-18,22-23,28H,4-16H2,1-3H3/t22-,23-/m1/s1 |
| InChI Key | GBSJJHOHZCOVQW-DHIUTWEWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H40O6 |
| Molecular Weight | 424.60 g/mol |
| Exact Mass | 424.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of [(1R,4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r4r-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl-acetate.jpg "2D Structure of [(1R,4R)-4-acetyloxy-5-hydroxy-5-pentadecanoylcyclopent-2-en-1-yl] acetate")
| 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 | 98.00% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.32% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.59% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.04% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.34% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.84% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.64% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.51% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.19% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.21% | 97.21% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.04% | 92.86% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.89% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.81% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.65% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.88% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.44% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.41% | 90.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.07% | 92.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.03% | 92.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.76% | 91.19% |
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.
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| There are no matching plants. |
| PubChem | 163048709 |
| LOTUS | LTS0123247 |
| wikiData | Q105006064 |