7H-Furo[3,2-g][1]benzopyran-7-one, 9-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-(1-methylethenyl)-, (R)-
| Internal ID | 399a1e46-ff18-4aeb-98ce-2c394669d121 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Coumarin glycosides |
| IUPAC Name | (2R)-2-prop-1-en-2-yl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one |
| SMILES (Canonical) | CC(=C)C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | CC(=C)[C@H]1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChI | InChI=1S/C20H22O9/c1-8(2)11-6-10-5-9-3-4-13(22)28-17(9)19(18(10)26-11)29-20-16(25)15(24)14(23)12(7-21)27-20/h3-5,11-12,14-16,20-21,23-25H,1,6-7H2,2H3/t11-,12-,14-,15+,16-,20+/m1/s1 |
| InChI Key | VPAPSBNFWBXZLU-VARNQONFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O9 |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 1.10 |
| 115356-05-3 |
| 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-(1-methylethenyl)-, (R)- |
![2D Structure of 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-(1-methylethenyl)-, (R)-](https://plantaedb.com/storage/docs/compounds/2023/11/174ee780-84fb-11ee-ba0e-f9d6fd234cfb.jpg "2D Structure of 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-(1-methylethenyl)-, (R)-")
| 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 | 98.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.80% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.81% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.44% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.91% | 91.49% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 90.27% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.85% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.54% | 94.73% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.91% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.78% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.75% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.70% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.14% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.21% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.97% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.99% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.61% | 96.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.57% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.54% | 95.89% |
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.
| Apium graveolens |
| PubChem | 162904504 |
| LOTUS | LTS0099776 |
| wikiData | Q105290615 |