(2R,3R,4R,5S)-2-[(4-hydroxyphenyl)methyl]oxane-2,3,4,5-tetrol
| Internal ID | 332ac3ff-45e3-485d-b5d2-8f1731897283 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | (2R,3R,4R,5S)-2-[(4-hydroxyphenyl)methyl]oxane-2,3,4,5-tetrol |
| SMILES (Canonical) | C1C(C(C(C(O1)(CC2=CC=C(C=C2)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@H]([C@H]([C@](O1)(CC2=CC=C(C=C2)O)O)O)O)O |
| InChI | InChI=1S/C12H16O6/c13-8-3-1-7(2-4-8)5-12(17)11(16)10(15)9(14)6-18-12/h1-4,9-11,13-17H,5-6H2/t9-,10+,11+,12+/m0/s1 |
| InChI Key | GRBCBNKTEOKAFL-IRCOFANPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16O6 |
| Molecular Weight | 256.25 g/mol |
| Exact Mass | 256.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4R,5S)-2-[(4-hydroxyphenyl)methyl]oxane-2,3,4,5-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r4r5s-2-4-hydroxyphenylmethyloxane-2345-tetrol.jpg "2D Structure of (2R,3R,4R,5S)-2-[(4-hydroxyphenyl)methyl]oxane-2,3,4,5-tetrol")
| 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 | 98.21% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.49% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.55% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.16% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.89% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.75% | 95.89% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.83% | 83.10% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.23% | 95.93% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.02% | 89.67% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.91% | 85.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.59% | 97.25% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.13% | 89.44% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.98% | 90.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.60% | 89.00% |
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.
| Gymnadenia conopsea |
| PubChem | 163195086 |
| LOTUS | LTS0063280 |
| wikiData | Q105015680 |