[5-Hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate
| Internal ID | d671ad26-a9f9-4b96-88de-34bc78ab3561 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | [5-hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC(=O)C4C(C(C(C(O4)O)O)O)O)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC(=O)C4C(C(C(C(O4)O)O)O)O)OC |
| InChI | InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)13-7-11(24)15-12(25)8-14(19(32-2)20(15)33-13)34-23(30)21-17(27)16(26)18(28)22(29)35-21/h3-8,16-18,21-22,25-29H,1-2H3 |
| InChI Key | RYPCAIRDDNPCKW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O12 |
| Molecular Weight | 490.40 g/mol |
| Exact Mass | 490.11112613 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [5-Hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-8-methoxy-2-4-methoxyphenyl-4-oxochromen-7-yl-3456-tetrahydroxyoxane-2-carboxylate.jpg "2D Structure of [5-Hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate")
| 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 | 98.64% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.96% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.54% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.49% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.09% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.91% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.43% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.34% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.54% | 86.92% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 89.35% | 89.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.20% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.62% | 86.33% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 87.48% | 83.57% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 85.99% | 91.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.72% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 85.40% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.17% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.78% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.61% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.26% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.00% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.18% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.06% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 162902890 |
| LOTUS | LTS0083849 |
| wikiData | Q105247751 |