(4,5-Dihydroxy-5-undecanoylcyclopent-2-en-1-yl) acetate
| Internal ID | dce44ee6-1cf6-4b45-a164-c362fef70877 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones > Alpha-hydroxy ketones |
| IUPAC Name | (4,5-dihydroxy-5-undecanoylcyclopent-2-en-1-yl) acetate |
| SMILES (Canonical) | CCCCCCCCCCC(=O)C1(C(C=CC1OC(=O)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCC(=O)C1(C(C=CC1OC(=O)C)O)O |
| InChI | InChI=1S/C18H30O5/c1-3-4-5-6-7-8-9-10-11-15(20)18(22)16(21)12-13-17(18)23-14(2)19/h12-13,16-17,21-22H,3-11H2,1-2H3 |
| InChI Key | CILVORWQHUXLRE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30O5 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.80 |
| 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 | 98.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.68% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.72% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.62% | 97.25% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.80% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.43% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.91% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.23% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.93% | 90.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.54% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.95% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.11% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.59% | 92.86% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.92% | 83.82% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.52% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.51% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.30% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.04% | 97.79% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.58% | 91.81% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.19% | 98.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 69805625 |
| LOTUS | LTS0129926 |
| wikiData | Q103817765 |