methyl 5-acetyloxy-5-(3-acetyloxy-5-chloro-6a-oct-2-enyl-4-oxo-3,3a-dihydro-2H-cyclopenta[b]furan-2-yl)pentanoate
| Internal ID | 02f983d6-caf3-41b5-aa3e-bf0b14c46f0d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Clavulones and derivatives |
| IUPAC Name | methyl 5-acetyloxy-5-(3-acetyloxy-5-chloro-6a-oct-2-enyl-4-oxo-3,3a-dihydro-2H-cyclopenta[b]furan-2-yl)pentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H35ClO8/c1-5-6-7-8-9-10-14-25-15-18(26)22(30)21(25)24(33-17(3)28)23(34-25)19(32-16(2)27)12-11-13-20(29)31-4/h9-10,15,19,21,23-24H,5-8,11-14H2,1-4H3 |
| InChI Key | BLNQJONHRXMQBH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H35ClO8 |
| Molecular Weight | 499.00 g/mol |
| Exact Mass | 498.2020458 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of methyl 5-acetyloxy-5-(3-acetyloxy-5-chloro-6a-oct-2-enyl-4-oxo-3,3a-dihydro-2H-cyclopenta[b]furan-2-yl)pentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8c691ee0-83ca-11ee-bfb5-ddf439f40bf1.jpg "2D Structure of methyl 5-acetyloxy-5-(3-acetyloxy-5-chloro-6a-oct-2-enyl-4-oxo-3,3a-dihydro-2H-cyclopenta[b]furan-2-yl)pentanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.33% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.09% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.00% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.00% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.88% | 98.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.65% | 94.73% |
| CHEMBL240 | Q12809 | HERG | 94.56% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.69% | 93.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.87% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.27% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.78% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.54% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.62% | 92.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.23% | 96.90% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.39% | 92.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.11% | 86.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.06% | 92.86% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.67% | 97.78% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.47% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.38% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.06% | 92.62% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.54% | 95.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.21% | 95.50% |
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 | 73837730 |
| LOTUS | LTS0054972 |
| wikiData | Q104938078 |