Paecilonic acid A
| Internal ID | 67d198ae-0761-441d-a93d-5c0cbf91eeee |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 10-[(1R,4S,5S,7S)-4-hydroxy-7-octyl-6,8-dioxabicyclo[3.2.1]octan-5-yl]decanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H44O5/c1-2-3-4-5-9-12-15-20-21-17-18-22(25)24(28-20,29-21)19-14-11-8-6-7-10-13-16-23(26)27/h20-22,25H,2-19H2,1H3,(H,26,27)/t20-,21+,22-,24-/m0/s1 |
| InChI Key | KIMHBIAVZVBRQI-KHUIQGCPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H44O5 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 6.90 |
| 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 | 98.33% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.27% | 98.03% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.81% | 96.61% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.62% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.73% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.30% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.29% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.53% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.86% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.79% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.61% | 96.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.45% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.07% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.55% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.51% | 90.17% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 85.17% | 97.86% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.07% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.07% | 100.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.67% | 90.24% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 82.95% | 98.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.12% | 97.29% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.88% | 93.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.67% | 96.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.42% | 89.05% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.37% | 98.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.19% | 99.23% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.09% | 97.50% |
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 | 139586129 |
| LOTUS | LTS0226824 |
| wikiData | Q77499531 |