2-(Hydroxymethyl)-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol
| Internal ID | 78e03c20-206c-429b-a501-9a35b392c8e0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-(hydroxymethyl)-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC(CCC1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | CC(CCC1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3 |
| InChI Key | KLLYDTMVSVIJEH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O7 |
| Molecular Weight | 328.36 g/mol |
| Exact Mass | 328.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-6-4-4-hydroxyphenylbutan-2-yloxyoxane-345-triol.jpg "2D Structure of 2-(Hydroxymethyl)-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol")
| 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 | 97.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.63% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.28% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.34% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.56% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.18% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.47% | 97.25% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.23% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.32% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.97% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.94% | 97.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.69% | 94.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.56% | 94.62% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.86% | 86.92% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.77% | 83.57% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.66% | 85.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.19% | 94.00% |
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.
| Abies nephrolepis |
| Betula pendula subsp. mandshurica |
| Betula pubescens |
| Taxus baccata |
| PubChem | 3536732 |
| LOTUS | LTS0041884 |
| wikiData | Q105142689 |