Methyl 3-(7-methoxy-4-oxochromen-3-yl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
| Internal ID | 1771efad-bc1d-4e2a-9db0-41dbf257fd7b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | methyl 3-(7-methoxy-4-oxochromen-3-yl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)C(=O)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)C(=O)OC |
| InChI | InChI=1S/C24H24O11/c1-31-13-3-4-15-17(8-13)33-10-16(19(15)26)11-5-12(23(30)32-2)7-14(6-11)34-24-22(29)21(28)20(27)18(9-25)35-24/h3-8,10,18,20-22,24-25,27-29H,9H2,1-2H3 |
| InChI Key | UYRXVOYFEUCMBP-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) | 161.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of Methyl 3-(7-methoxy-4-oxochromen-3-yl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3-7-methoxy-4-oxochromen-3-yl-5-345-trihydroxy-6-hydroxymethyloxan-2-yloxybenzoate.jpg "2D Structure of Methyl 3-(7-methoxy-4-oxochromen-3-yl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate")
| 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 | 99.34% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.87% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.47% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.89% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.43% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.34% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.60% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.15% | 95.93% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.09% | 86.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.17% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.66% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.13% | 92.62% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.02% | 95.83% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.21% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.32% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.37% | 95.89% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.17% | 94.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.53% | 97.28% |
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.
| Caragana conferta |
| PubChem | 163006954 |
| LOTUS | LTS0061521 |
| wikiData | Q105281893 |