5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide
| Internal ID | 7da7c83c-95a6-4e95-9fc3-b75db8d80d6a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides |
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-methoxyphenoxy]oxane-2-carboxylic acid |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C4=C(C=C3O2)OCO4)O)OC)OC5C(C(C(C(O5)C(=O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C4=C(C=C3O2)OCO4)O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChI | InChI=1S/C24H22O14/c1-32-10-5-8(3-4-9(10)37-24-18(29)16(27)17(28)22(38-24)23(30)31)19-21(33-2)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)/t16-,17-,18+,22-,24+/m0/s1 |
| InChI Key | SYRSHYBWNZNHHW-NKUGBYDDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H22O14 |
| Molecular Weight | 534.40 g/mol |
| Exact Mass | 534.10095537 g/mol |
| Topological Polar Surface Area (TPSA) | 200.00 Ų |
| XlogP | 1.40 |
| 5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide |
| (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(9-hydroxy-7-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-methoxyphenoxy)tetrahydro-2H-pyran-2-carboxylic acid |
| 195206-68-9 |
| 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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.68% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.41% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.88% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.47% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.47% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.24% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.17% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.99% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.43% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.48% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.66% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.07% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.62% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.97% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.96% | 95.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.78% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.00% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.65% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.24% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 80.59% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.25% | 95.53% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.01% | 97.33% |
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.
| Spinacia oleracea |
| PubChem | 21722024 |
| LOTUS | LTS0160897 |
| wikiData | Q105263744 |