2-(Hydroxymethyl)-6-[3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
| Internal ID | d61fc52c-3312-47bb-83a6-073c41391652 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C1=CC(=CC=C1C=CCOC2C(C(C(C(O2)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CCOC2C(C(C(C(O2)CO)O)O)O)O |
| InChI | InChI=1S/C15H20O7/c16-8-11-12(18)13(19)14(20)15(22-11)21-7-1-2-9-3-5-10(17)6-4-9/h1-6,11-20H,7-8H2 |
| InChI Key | CNNXMGXBAZQZDE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O7 |
| Molecular Weight | 312.31 g/mol |
| Exact Mass | 312.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-6-3-4-hydroxyphenylprop-2-enoxyoxane-345-triol.jpg "2D Structure of 2-(Hydroxymethyl)-6-[3-(4-hydroxyphenyl)prop-2-enoxy]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 | 97.85% | 91.11% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.64% | 91.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.82% | 96.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.48% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.39% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 88.33% | 90.71% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.61% | 89.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.57% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.59% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.96% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.30% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.20% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.69% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.86% | 95.56% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.98% | 88.00% |
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.
| Ananas comosus |
| Camellia reticulata |
| Camellia sinensis |
| Codonopsis cordifolioidea |
| Rhodiola crenulata |
| Rhodiola rosea |
| Salix triandra |
| Sarcophyte sanguinea |
| PubChem | 72726662 |
| LOTUS | LTS0109848 |
| wikiData | Q104966129 |