5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide
| Internal ID | 4875f68f-0e1f-4f0e-b7a0-c0f10f407d2d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides |
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid |
| SMILES (Canonical) | COC1=C(OC2=CC3=C(C(=C2C1=O)O)OCO3)C4=CC(=C(C=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(OC2=CC3=C(C(=C2C1=O)O)OCO3)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O |
| InChI | InChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)/t15-,16-,17+,21-,23+/m0/s1 |
| InChI Key | CHIQYVBCRPLTQS-QJAHINBCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H20O14 |
| Molecular Weight | 520.40 g/mol |
| Exact Mass | 520.08530531 g/mol |
| Topological Polar Surface Area (TPSA) | 211.00 Ų |
| XlogP | 1.10 |
| DTXSID501341620 |
| AKOS040738462 |
| 5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide |
| (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-hydroxy-4-(9-hydroxy-7-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid |
| 195206-67-8 |
| 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 | 98.90% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.58% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.49% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.26% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.58% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.65% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.60% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.77% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.57% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.47% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.65% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 85.67% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.60% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.40% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.36% | 96.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.64% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.95% | 94.73% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.78% | 95.53% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.30% | 95.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.97% | 90.71% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 81.34% | 96.76% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.34% | 80.96% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.67% | 87.67% |
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 | 10896620 |
| LOTUS | LTS0095282 |
| wikiData | Q104958848 |