2-(Hydroxymethyl)-6-[4-[(4-hydroxyphenyl)methoxymethyl]phenoxy]oxane-3,4,5-triol
| Internal ID | cd38080f-3b9f-49a7-a25d-fffa2c51b31e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[4-[(4-hydroxyphenyl)methoxymethyl]phenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C1=CC(=CC=C1COCC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1COCC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O |
| InChI | InChI=1S/C20H24O8/c21-9-16-17(23)18(24)19(25)20(28-16)27-15-7-3-13(4-8-15)11-26-10-12-1-5-14(22)6-2-12/h1-8,16-25H,9-11H2 |
| InChI Key | URINFYYBTXOQCT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O8 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[4-[(4-hydroxyphenyl)methoxymethyl]phenoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-6-4-4-hydroxyphenylmethoxymethylphenoxyoxane-345-triol.jpg "2D Structure of 2-(Hydroxymethyl)-6-[4-[(4-hydroxyphenyl)methoxymethyl]phenoxy]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 | 97.38% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.85% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.58% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.02% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.41% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.35% | 95.89% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 87.23% | 83.57% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.71% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.34% | 98.95% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.14% | 85.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.13% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.50% | 94.73% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.03% | 98.35% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.73% | 86.92% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.63% | 89.67% |
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.
| Gastrodia elata |
| PubChem | 73157714 |
| LOTUS | LTS0170092 |
| wikiData | Q105277794 |