4,5-di-O-acetyl hygrophorone A14
| Internal ID | cfc05510-b0c0-4120-9e72-855ed5b166a7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(1R,5S)-5-(1-acetyloxypentadecyl)-5-hydroxy-4-oxocyclopent-2-en-1-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22(29-19(2)25)24(28)21(27)17-18-23(24)30-20(3)26/h17-18,22-23,28H,4-16H2,1-3H3/t22?,23-,24+/m1/s1 |
| InChI Key | ZKCYUNQFSFGHND-XQFMJXHWSA-N |
| Popularity | 2 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 | 6.40 |
| [(1R,5S)-5-(1-acetyloxypentadecyl)-5-hydroxy-4-oxocyclopent-2-en-1-yl] acetate |
| ((1R,5S)-5-(1-acetyloxypentadecyl)-5-hydroxy-4-oxocyclopent-2-en-1-yl) acetate |
| 1-((1S,2R)-2-(Acetyloxy)-1-hydroxy-5-oxocyclopent-3-en-1-yl)pentadecyl acetic acid |
| 1-[(1S,2R)-2-(Acetyloxy)-1-hydroxy-5-oxocyclopent-3-en-1-yl]pentadecyl acetic acid |
| RefChem:96422 |
| CHEBI:216218 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.16% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.34% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.15% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.14% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.92% | 97.25% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.27% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.57% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.89% | 92.86% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.01% | 94.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.75% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.37% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.51% | 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 | 11235607 |
| LOTUS | LTS0162370 |
| wikiData | Q77499135 |