(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthren-2-yl)oxy]oxane-3,4,5-triol
| Internal ID | edcc5b77-569d-4b3d-9eaf-589e9c594ad8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthren-2-yl)oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C2=C(CCC3=CC(=C(C(=C32)OC)OC)OC4C(C(C(C(O4)CO)O)O)O)C=C1)O |
| SMILES (Isomeric) | COC1=C(C2=C(CCC3=CC(=C(C(=C32)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C1)O |
| InChI | InChI=1S/C23H28O10/c1-29-12-7-6-10-4-5-11-8-13(21(30-2)22(31-3)16(11)15(10)17(12)25)32-23-20(28)19(27)18(26)14(9-24)33-23/h6-8,14,18-20,23-28H,4-5,9H2,1-3H3/t14-,18-,19+,20-,23-/m1/s1 |
| InChI Key | GBELCHPDFBQBDG-QKHYKKGASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H28O10 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthren-2-yl)oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/0fe091a0-8587-11ee-af94-f1d4b176fd41.jpg "2D Structure of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthren-2-yl)oxy]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 | 99.14% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.23% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.65% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.24% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.08% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.79% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.36% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.10% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.44% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.05% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.46% | 90.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.40% | 94.45% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.94% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.52% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.25% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.83% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.81% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.07% | 93.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.25% | 92.62% |
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.
| Epimedium grandiflorum |
| PubChem | 14135380 |
| LOTUS | LTS0061294 |
| wikiData | Q105005807 |