2-[4-[1-Hydroxy-4-(4-hydroxyphenyl)but-2-en-2-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | e9a38b36-3199-4e7b-b469-4fac806b2a8f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-[4-[1-hydroxy-4-(4-hydroxyphenyl)but-2-en-2-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1=CC(=CC=C1CC=C(CO)C2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CC=C(CO)C2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O |
| InChI | InChI=1S/C22H26O8/c23-11-15(4-1-13-2-7-16(25)8-3-13)14-5-9-17(10-6-14)29-22-21(28)20(27)19(26)18(12-24)30-22/h2-10,18-28H,1,11-12H2 |
| InChI Key | GDIIAOCMTDMPBN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O8 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 2-[4-[1-Hydroxy-4-(4-hydroxyphenyl)but-2-en-2-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-1-hydroxy-4-4-hydroxyphenylbut-2-en-2-ylphenoxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[4-[1-Hydroxy-4-(4-hydroxyphenyl)but-2-en-2-yl]phenoxy]-6-(hydroxymethyl)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 | 97.70% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.26% | 99.17% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.43% | 83.57% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.63% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.70% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.60% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.94% | 91.49% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 88.89% | 85.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.79% | 94.73% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.99% | 98.35% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.90% | 95.89% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.38% | 94.97% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.64% | 98.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.44% | 89.67% |
| CHEMBL3194 | P02766 | Transthyretin | 83.01% | 90.71% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.81% | 95.83% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.42% | 90.00% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.95% | 91.43% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.74% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.64% | 96.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.41% | 94.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.86% | 94.00% |
| CHEMBL3232685 | O00257 | E3 SUMO-protein ligase CBX4 | 80.59% | 93.00% |
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.
| Annona squamosa |
| PubChem | 162850814 |
| LOTUS | LTS0039843 |
| wikiData | Q105006733 |