(1S,2S)-3-oxo-2-pentylcyclopentane-1-hexanoic acid methyl ester
| Internal ID | 811f0e34-f19a-4238-920f-fb68954bbd9c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | methyl 6-[(1S,2S)-3-oxo-2-pentylcyclopentyl]hexanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H30O3/c1-3-4-6-10-15-14(12-13-16(15)18)9-7-5-8-11-17(19)20-2/h14-15H,3-13H2,1-2H3/t14-,15-/m0/s1 |
| InChI Key | JHOXQZUAUCLZOH-GJZGRUSLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H30O3 |
| Molecular Weight | 282.40 g/mol |
| Exact Mass | 282.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 4.70 |
| 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 | 97.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.63% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.00% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 93.55% | 90.24% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.53% | 83.82% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.80% | 92.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.19% | 98.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.11% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.03% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 86.23% | 89.76% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.05% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.27% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.06% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.25% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.93% | 97.79% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.83% | 92.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.10% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.85% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.84% | 97.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.66% | 91.81% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.54% | 97.29% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.49% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.15% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.10% | 94.45% |
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.
| There are no matching plants. |
| PubChem | 139586748 |
| LOTUS | LTS0195097 |
| wikiData | Q77513568 |