[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-[2-(4-hydroxyphenyl)acetyl]oxy-6-[(2R,4R)-2-methyl-6-oxooxan-4-yl]oxyoxan-4-yl] 2-(4-hydroxyphenyl)acetate
| Internal ID | 71169216-c684-446f-b311-6cb8c0895f14 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-[2-(4-hydroxyphenyl)acetyl]oxy-6-[(2R,4R)-2-methyl-6-oxooxan-4-yl]oxyoxan-4-yl] 2-(4-hydroxyphenyl)acetate |
| SMILES (Canonical) | CC1CC(CC(=O)O1)OC2C(C(C(C(O2)CO)O)OC(=O)CC3=CC=C(C=C3)O)OC(=O)CC4=CC=C(C=C4)O |
| SMILES (Isomeric) | C[C@@H]1C[C@H](CC(=O)O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)CC3=CC=C(C=C3)O)OC(=O)CC4=CC=C(C=C4)O |
| InChI | InChI=1S/C28H32O12/c1-15-10-20(13-24(34)36-15)37-28-27(40-23(33)12-17-4-8-19(31)9-5-17)26(25(35)21(14-29)38-28)39-22(32)11-16-2-6-18(30)7-3-16/h2-9,15,20-21,25-31,35H,10-14H2,1H3/t15-,20-,21-,25-,26+,27-,28+/m1/s1 |
| InChI Key | FRWQMDSUBBWLRW-YWGGUWECSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O12 |
| Molecular Weight | 560.50 g/mol |
| Exact Mass | 560.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-[2-(4-hydroxyphenyl)acetyl]oxy-6-[(2R,4R)-2-methyl-6-oxooxan-4-yl]oxyoxan-4-yl] 2-(4-hydroxyphenyl)acetate](https://plantaedb.com/storage/docs/compounds/2023/11/be783420-852f-11ee-8a8e-6db0e79b2e6b.jpg "2D Structure of [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-[2-(4-hydroxyphenyl)acetyl]oxy-6-[(2R,4R)-2-methyl-6-oxooxan-4-yl]oxyoxan-4-yl] 2-(4-hydroxyphenyl)acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.02% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.92% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.67% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.53% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.39% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.71% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.02% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.41% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.03% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.63% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.24% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.89% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.38% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.01% | 91.19% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.37% | 85.00% |
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.
| Hymenophyllum barbatum |
| PubChem | 162991862 |
| LOTUS | LTS0112270 |
| wikiData | Q105000473 |