(2S,3R,4S,5S,6R)-2-[4-[(2R,3aR,5R,6aR)-2-(4-hydroxy-3-methoxyphenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | c2e41267-6a11-4739-a00b-fb96500a4e28 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-[(2R,3aR,5R,6aR)-2-(4-hydroxy-3-methoxyphenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2CC3C(O2)CC(O3)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]2C[C@@H]3[C@H](O2)C[C@@H](O3)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)O |
| InChI | InChI=1S/C26H32O11/c1-32-18-7-12(3-5-14(18)28)16-9-20-21(34-16)10-17(35-20)13-4-6-15(19(8-13)33-2)36-26-25(31)24(30)23(29)22(11-27)37-26/h3-8,16-17,20-31H,9-11H2,1-2H3/t16-,17-,20-,21-,22-,23-,24+,25-,26-/m1/s1 |
| InChI Key | PMYRNTDWOUCHOS-MJIFRGCXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H32O11 |
| Molecular Weight | 520.50 g/mol |
| Exact Mass | 520.19446183 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-2-[4-[(2R,3aR,5R,6aR)-2-(4-hydroxy-3-methoxyphenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/020be340-856b-11ee-8641-a1da284bcaac.jpg "2D Structure of (2S,3R,4S,5S,6R)-2-[4-[(2R,3aR,5R,6aR)-2-(4-hydroxy-3-methoxyphenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-2-methoxyphenoxy]-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.42% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.50% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.58% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.06% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.48% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.37% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.26% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.09% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.86% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.77% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.12% | 98.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.00% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.97% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.04% | 95.56% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.39% | 88.48% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.35% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.46% | 94.45% |
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.
| Pluchea indica |
| PubChem | 163006047 |
| LOTUS | LTS0161908 |
| wikiData | Q105211822 |