Plakortether F
| Internal ID | 1bc52062-c2a3-4955-b4c0-3e5392b028fc |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives |
| IUPAC Name | methyl (3R,4R)-4-[[(2R,4R,5S)-4-ethyl-5-methoxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H30O5/c1-6-11(13(17)8-14(18)19-4)9-16(3)10-12(7-2)15(20-5)21-16/h11-13,15,17H,6-10H2,1-5H3/t11-,12-,13-,15+,16-/m1/s1 |
| InChI Key | XNOIVFOYLARBTO-RIQILIMLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H30O5 |
| Molecular Weight | 302.41 g/mol |
| Exact Mass | 302.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.30 |
| Methyl (3R,4R)-4-[[(2R,4R,5S)-4-ethyl-5-methoxy-2-methyloxolan-2-yl]methyl]-3-hydroxyhexanoate |
| 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 | 98.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.14% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.58% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.86% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.38% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.05% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.55% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.99% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.58% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.56% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.56% | 96.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.40% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.32% | 98.95% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.00% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.49% | 95.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.10% | 98.75% |
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 | 10017813 |
| LOTUS | LTS0237648 |
| wikiData | Q105331843 |