7-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
| Internal ID | 2bedd747-d7e4-46a9-8a0e-5ca3d9d81488 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids |
| IUPAC Name | 7-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(CO4)(CO)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(CO4)(CO)O)O)O)O |
| InChI | InChI=1S/C21H20O10/c1-28-15-3-2-10(4-12(15)23)16-7-14(25)18-13(24)5-11(6-17(18)31-16)30-20-19(26)21(27,8-22)9-29-20/h2-7,19-20,22-24,26-27H,8-9H2,1H3 |
| InChI Key | PXOCSOFBWHOQPV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O10 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 7-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/388a7840-8657-11ee-86cd-9fd70c759f25.jpg "2D Structure of 7-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.02% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.94% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.83% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.77% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.61% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.59% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.08% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.69% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.17% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.00% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.86% | 92.94% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.56% | 86.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.89% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.61% | 97.28% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.35% | 96.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.48% | 95.53% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.15% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.85% | 99.23% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 84.28% | 96.69% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.33% | 93.99% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.80% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.29% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.18% | 94.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.47% | 95.78% |
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.
| Phoenix dactylifera |
| PubChem | 163009501 |
| LOTUS | LTS0140261 |
| wikiData | Q105216288 |