(2S,3R,4R,5R,6S)-2-[8-hydroxy-1,6-dimethoxy-7-(4-methoxyphenyl)dibenzofuran-2-yl]oxy-6-methyloxane-3,4,5-triol
| Internal ID | 2eae2d66-2ae3-4578-946f-57bc821eff60 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[8-hydroxy-1,6-dimethoxy-7-(4-methoxyphenyl)dibenzofuran-2-yl]oxy-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)OC4=C(C(=C(C=C34)O)C5=CC=C(C=C5)OC)OC)OC)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C3=C(C=C2)OC4=C(C(=C(C=C34)O)C5=CC=C(C=C5)OC)OC)OC)O)O)O |
| InChI | InChI=1S/C27H28O10/c1-12-21(29)22(30)23(31)27(35-12)37-18-10-9-17-20(25(18)33-3)15-11-16(28)19(26(34-4)24(15)36-17)13-5-7-14(32-2)8-6-13/h5-12,21-23,27-31H,1-4H3/t12-,21-,22+,23+,27-/m0/s1 |
| InChI Key | BVXZZBSRUHMSQH-YGVWRSSSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H28O10 |
| Molecular Weight | 512.50 g/mol |
| Exact Mass | 512.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4R,5R,6S)-2-[8-hydroxy-1,6-dimethoxy-7-(4-methoxyphenyl)dibenzofuran-2-yl]oxy-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6eb5af40-8635-11ee-832e-a1f75b2868a6.jpg "2D Structure of (2S,3R,4R,5R,6S)-2-[8-hydroxy-1,6-dimethoxy-7-(4-methoxyphenyl)dibenzofuran-2-yl]oxy-6-methyloxane-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 | 99.19% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.68% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.49% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.33% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.81% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.18% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.09% | 86.33% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 90.48% | 97.53% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.30% | 95.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.97% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.32% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.87% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.86% | 98.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.10% | 95.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.93% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.89% | 91.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.65% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.50% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.49% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.12% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.03% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.33% | 99.23% |
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.
| There are no matching plants. |
| PubChem | 11627654 |
| LOTUS | LTS0130881 |
| wikiData | Q75069900 |