7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxychromen-2-one
| Internal ID | 1e1ceeeb-611b-4a56-bbbd-1be89cb26ea6 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Coumarin glycosides |
| IUPAC Name | 7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxychromen-2-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(CO4)(CO)O)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(CO4)(CO)O)O |
| InChI | InChI=1S/C21H26O13/c1-29-11-4-9-2-3-14(24)31-10(9)5-12(11)32-19-17(16(26)15(25)13(6-22)33-19)34-20-18(27)21(28,7-23)8-30-20/h2-5,13,15-20,22-23,25-28H,6-8H2,1H3 |
| InChI Key | MYKIQRNRIUNMLZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O13 |
| Molecular Weight | 486.40 g/mol |
| Exact Mass | 486.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -1.50 |
| There are no found synonyms. |
![2D Structure of 7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/50e196e0-84f1-11ee-b5f0-6d2121b72c7e.jpg "2D Structure of 7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxychromen-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.59% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.42% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.98% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.13% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.29% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.22% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.07% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.05% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.92% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.60% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.64% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.58% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.08% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.90% | 95.93% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.45% | 86.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.00% | 90.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.60% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.06% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.99% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.73% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.63% | 97.36% |
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.
| Salsola laricifolia |
| PubChem | 162933053 |
| LOTUS | LTS0093940 |
| wikiData | Q105174977 |