Methyl 4,5-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-3-methoxyoxane-2-carboxylate
| Internal ID | 408eed7f-02b5-4381-8bde-bb8c1593aebf |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides |
| IUPAC Name | methyl 4,5-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-3-methoxyoxane-2-carboxylate |
| SMILES (Canonical) | COC1C(C(C(OC1C(=O)OC)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)O)O |
| SMILES (Isomeric) | COC1C(C(C(OC1C(=O)OC)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC)O)O)O |
| InChI | InChI=1S/C24H24O11/c1-30-12-6-4-11(5-7-12)16-10-15(26)18-14(25)8-13(9-17(18)34-16)33-24-20(28)19(27)21(31-2)22(35-24)23(29)32-3/h4-10,19-22,24-25,27-28H,1-3H3 |
| InChI Key | SQWURSZGOUXLIP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O11 |
| Molecular Weight | 488.40 g/mol |
| Exact Mass | 488.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of Methyl 4,5-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-3-methoxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/4a644440-8560-11ee-aab1-015f12d17cc2.jpg "2D Structure of Methyl 4,5-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-3-methoxyoxane-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 | 99.07% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.33% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.96% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.18% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.04% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.75% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.92% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.73% | 99.15% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.60% | 81.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.37% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.16% | 90.71% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 86.86% | 87.67% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 86.69% | 89.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.69% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.91% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.72% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.31% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.01% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.45% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 82.18% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.03% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.57% | 94.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.53% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.30% | 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.
| Lycopus asper |
| PubChem | 162853135 |
| LOTUS | LTS0141093 |
| wikiData | Q105258718 |