Methyl 5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoate
| Internal ID | b47a8d3b-0852-4c45-a440-ff9c007d7e0c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | methyl 5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoate |
| SMILES (Canonical) | CC(CC(CC(=O)OC)C1C(C(C(C(O1)CO)O)O)O)O |
| SMILES (Isomeric) | CC(CC(CC(=O)OC)C1C(C(C(C(O1)CO)O)O)O)O |
| InChI | InChI=1S/C13H24O8/c1-6(15)3-7(4-9(16)20-2)13-12(19)11(18)10(17)8(5-14)21-13/h6-8,10-15,17-19H,3-5H2,1-2H3 |
| InChI Key | HIXHJQYDTOCADR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H24O8 |
| Molecular Weight | 308.32 g/mol |
| Exact Mass | 308.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of Methyl 5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-5-hydroxy-3-345-trihydroxy-6-hydroxymethyloxan-2-ylhexanoate.jpg "2D Structure of Methyl 5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoate")
| 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 | 97.69% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.43% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.31% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.95% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.46% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.43% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.09% | 99.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.22% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.21% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.56% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.09% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.83% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.28% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.98% | 96.47% |
| CHEMBL3776 | Q14790 | Caspase-8 | 82.40% | 97.06% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.13% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.96% | 98.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.76% | 90.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.48% | 97.47% |
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.
| Vaccinium dunalianum |
| PubChem | 162954138 |
| LOTUS | LTS0136838 |
| wikiData | Q105029090 |