7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(beta-D-glucopyranosyloxy)-
| Internal ID | 4f44662f-1770-4457-b6b5-efa1333fb09c |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Coumarin glycosides |
| IUPAC Name | 9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one |
| SMILES (Canonical) | C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChI | InChI=1S/C17H16O9/c18-6-9-11(20)12(21)13(22)17(24-9)26-16-14-8(3-4-23-14)5-7-1-2-10(19)25-15(7)16/h1-5,9,11-13,17-18,20-22H,6H2/t9-,11-,12+,13-,17+/m1/s1 |
| InChI Key | CXQMYXUCGMYFCD-QSDFBURQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O9 |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.07943208 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | -0.20 |
| DTXSID60912559 |
| 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(beta-D-glucopyranosyloxy)- |
| 7-Oxo-7H-furo[3,2-g][1]benzopyran-9-yl hexopyranoside |
| 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 | 97.66% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.34% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.66% | 95.83% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.63% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.57% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.37% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.62% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.08% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.48% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.07% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.84% | 97.09% |
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.
| Glehnia littoralis |
| PubChem | 188627 |
| LOTUS | LTS0057155 |
| wikiData | Q82882863 |