3-(3-Hydroxy-4-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Internal ID | dea6faf7-56f3-46cf-aae6-680d7c67f2ee |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)CO)O)O)O)O |
| InChI | InChI=1S/C23H24O11/c1-30-14-4-3-10(5-13(14)25)12-9-32-15-7-17(16(31-2)6-11(15)19(12)26)33-23-22(29)21(28)20(27)18(8-24)34-23/h3-7,9,18,20-25,27-29H,8H2,1-2H3 |
| InChI Key | MSAVZPBSIHMNFX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O11 |
| Molecular Weight | 476.40 g/mol |
| Exact Mass | 476.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 164.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 3-(3-Hydroxy-4-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2fda9cf0-8565-11ee-b5be-6d0736144f2e.jpg "2D Structure of 3-(3-Hydroxy-4-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.37% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.27% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.17% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.64% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.51% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.81% | 96.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.17% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.21% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.13% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.34% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.60% | 95.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.54% | 92.98% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.26% | 96.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.07% | 95.78% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.97% | 92.38% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.11% | 95.53% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.48% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.60% | 95.89% |
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.
| Bowdichia virgilioides |
| Caragana alaica |
| Glycyrrhiza glabra |
| PubChem | 137796437 |
| LOTUS | LTS0120441 |
| wikiData | Q105171058 |