Methyl 6-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
| Internal ID | a72a6bca-8101-4432-b62a-6a73f993a517 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-8-O-glucuronides |
| IUPAC Name | methyl 6-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)OC)O)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)OC)O)O)O |
| InChI | InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)14-8-12(25)15-11(24)7-13(26)19(20(15)33-14)34-23-18(29)16(27)17(28)21(35-23)22(30)32-2/h3-8,16-18,21,23-24,26-29H,1-2H3 |
| InChI Key | PMIUOPDTARUOHW-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 | 1.40 |
| There are no found synonyms. |
![2D Structure of Methyl 6-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/8c1c07e0-859d-11ee-87d8-b587a8973717.jpg "2D Structure of Methyl 6-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-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 | 99.17% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.37% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.80% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.96% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 92.20% | 89.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.20% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.80% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.87% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.70% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.55% | 94.73% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 88.08% | 87.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.30% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.03% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.43% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.40% | 90.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.83% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.60% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.57% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.36% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.78% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.31% | 92.62% |
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.
| Helicteres angustifolia |
| PubChem | 162898551 |
| LOTUS | LTS0138607 |
| wikiData | Q105211504 |