(2R,3R,4S,5S,6S)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-methoxyoxane-3,4,5-triol
| Internal ID | ed948f88-f382-4192-a313-04643a650c24 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | (2R,3R,4S,5S,6S)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-methoxyoxane-3,4,5-triol |
| SMILES (Canonical) | COC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3C4COC(C4CO3)C5=CC(=C(C=C5)O)OC)OC)O)O)O |
| SMILES (Isomeric) | CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C=C5)O)OC)OC)O)O)O |
| InChI | InChI=1S/C26H32O11/c1-31-18-8-12(4-6-16(18)27)23-14-10-35-24(15(14)11-34-23)13-5-7-17(19(9-13)32-2)36-26-22(30)20(28)21(29)25(33-3)37-26/h4-9,14-15,20-30H,10-11H2,1-3H3/t14-,15-,20-,21-,22+,23+,24+,25-,26+/m0/s1 |
| InChI Key | LUGSXNFVPODRED-BCWJNRPXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O11 |
| Molecular Weight | 520.50 g/mol |
| Exact Mass | 520.19446183 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6S)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-methoxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/15617040-8218-11ee-a225-ebf4f07fa503.jpg "2D Structure of (2R,3R,4S,5S,6S)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-methoxyoxane-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 | 98.30% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.76% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.96% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.19% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.61% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.00% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.03% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.85% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.08% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.84% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.07% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.65% | 98.95% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.59% | 88.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.25% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.53% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.28% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.84% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.54% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.14% | 85.14% |
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.
| Eucommia ulmoides |
| PubChem | 162948295 |
| LOTUS | LTS0226518 |
| wikiData | Q105157416 |