Fraxiresinol 1-O-glucoside
| Internal ID | b2d89a30-9259-46f9-8a42-e4ca2bfa8a73 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[[(3R,3aS,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C2C3(COC(C3CO2)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@]3(CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChI | InChI=1S/C27H34O13/c1-34-16-6-12(4-5-15(16)29)24-14-10-37-25(13-7-17(35-2)20(30)18(8-13)36-3)27(14,11-38-24)40-26-23(33)22(32)21(31)19(9-28)39-26/h4-8,14,19,21-26,28-33H,9-11H2,1-3H3/t14-,19-,21-,22+,23-,24-,25-,26+,27-/m1/s1 |
| InChI Key | YPAOREQYVAAYMG-FRKCGNQASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H34O13 |
| Molecular Weight | 566.50 g/mol |
| Exact Mass | 566.19994113 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | -0.40 |
| 89199-94-0 |
| (2S,3R,4S,5S,6R)-2-[[(3R,3aS,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Fraxiresinol 1-O--D-glucoside |
| (+)-Fraxiresinol 1--D-glucoside |
| AKOS032948306 |
| FS-9136 |
| 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 | 99.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.93% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.49% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.58% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.81% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.20% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.79% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.48% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.77% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.39% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.04% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.91% | 92.62% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.67% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.41% | 99.17% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.18% | 97.36% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.12% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.65% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.29% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.33% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.56% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.16% | 99.15% |
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.
| Fraxinus angustifolia subsp. oxycarpa |
| Olea europaea subsp. cuspidata |
| Stauntonia hexaphylla |
| PubChem | 21632948 |
| LOTUS | LTS0216595 |
| wikiData | Q105351618 |