2-(2,3-Dimethoxyphenyl)-7,8-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Internal ID | 4fca6fdb-34dd-4828-9783-a04e516d14c7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 2-(2,3-dimethoxyphenyl)-7,8-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC)OC |
| SMILES (Isomeric) | COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC)OC |
| InChI | InChI=1S/C25H28O12/c1-31-13-7-5-6-11(22(13)33-3)14-8-12(27)18-15(9-16(32-2)23(34-4)24(18)35-14)36-25-21(30)20(29)19(28)17(10-26)37-25/h5-9,17,19-21,25-26,28-30H,10H2,1-4H3 |
| InChI Key | PPQXLPYIRAWACL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O12 |
| Molecular Weight | 520.50 g/mol |
| Exact Mass | 520.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 2-(2,3-Dimethoxyphenyl)-7,8-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/ae122580-85be-11ee-9730-1b321b4054ff.jpg "2D Structure of 2-(2,3-Dimethoxyphenyl)-7,8-dimethoxy-5-[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 | 97.14% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.83% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.47% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.84% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.78% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.39% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.90% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.40% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.61% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.04% | 98.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.15% | 96.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.59% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.56% | 94.73% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.05% | 95.83% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.66% | 94.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.53% | 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.
| Andrographis paniculata |
| PubChem | 13963768 |
| LOTUS | LTS0214223 |
| wikiData | Q105213009 |