2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 7-(beta-D-glucopyranosyloxy)-7,8-dihydro-10-hydroxy-8,8-dimethyl-
| Internal ID | 07d7d1e0-707a-45d0-ac39-6ebb8c99e89a |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | 10-hydroxy-2,2-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydropyrano[3,2-g]chromen-8-one |
| SMILES (Canonical) | CC1(C(CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)CO)O)O)O)C |
| SMILES (Isomeric) | CC1(C(CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)CO)O)O)O)C |
| InChI | InChI=1S/C20H24O10/c1-20(2)11(28-19-15(25)14(24)13(23)10(7-21)27-19)6-9-5-8-3-4-12(22)29-17(8)16(26)18(9)30-20/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3 |
| InChI Key | DJNJDDXGDIUVGC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O10 |
| Molecular Weight | 424.40 g/mol |
| Exact Mass | 424.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 0.00 |
| Seseloside |
| 2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 7-(beta-D-glucopyranosyloxy)-7,8-dihydro-10-hydroxy-8,8-dimethyl- |
| DTXSID601002087 |
| 10-Hydroxy-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-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 | 99.62% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.60% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.66% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.53% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.28% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.78% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.52% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.50% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.42% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.41% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.23% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.29% | 90.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.01% | 91.24% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.74% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.94% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.35% | 95.83% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.44% | 97.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.35% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.07% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.19% | 92.62% |
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.
| Seseli peucedanoides |
| PubChem | 157904 |
| LOTUS | LTS0265384 |
| wikiData | Q82996138 |