methyl (4R)-4-[[(2S)-2-hydroxy-2-methyl-5-oxocyclopentylidene]methyl]-5-methylhexanoate
| Internal ID | 4c63ed69-13bb-4d1a-950d-cb28ebf3bfad |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl (4R)-4-[[(2S)-2-hydroxy-2-methyl-5-oxocyclopentylidene]methyl]-5-methylhexanoate |
| SMILES (Canonical) | CC(C)C(CCC(=O)OC)C=C1C(=O)CCC1(C)O |
| SMILES (Isomeric) | CC(C)[C@@H](CCC(=O)OC)C=C1C(=O)CC[C@]1(C)O |
| InChI | InChI=1S/C15H24O4/c1-10(2)11(5-6-14(17)19-4)9-12-13(16)7-8-15(12,3)18/h9-11,18H,5-8H2,1-4H3/t11-,15-/m0/s1 |
| InChI Key | LBKYKMRIFPZXPI-NHYWBVRUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 g/mol |
| Exact Mass | 268.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of methyl (4R)-4-[[(2S)-2-hydroxy-2-methyl-5-oxocyclopentylidene]methyl]-5-methylhexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-4r-4-2s-2-hydroxy-2-methyl-5-oxocyclopentylidenemethyl-5-methylhexanoate.jpg "2D Structure of methyl (4R)-4-[[(2S)-2-hydroxy-2-methyl-5-oxocyclopentylidene]methyl]-5-methylhexanoate")
| 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 | 97.76% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.19% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.92% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.88% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.62% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.98% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.02% | 95.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.48% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.22% | 90.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.04% | 91.07% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.59% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.40% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.64% | 98.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.23% | 94.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.77% | 89.50% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.56% | 94.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.38% | 80.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.18% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.33% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 80.92% | 97.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.41% | 96.90% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.30% | 89.34% |
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.
| Alpinia oxyphylla |
| PubChem | 162894993 |
| LOTUS | LTS0089116 |
| wikiData | Q105149416 |