3,5,6,7,8-Pentamethoxy-2-(2-methoxyphenyl)chromen-4-one
| Internal ID | a0429bb1-1cd1-466f-8f09-a4ff3e67c580 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | 3,5,6,7,8-pentamethoxy-2-(2-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1=CC=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
| SMILES (Isomeric) | COC1=CC=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC |
| InChI | InChI=1S/C21H22O8/c1-23-12-10-8-7-9-11(12)15-18(25-3)14(22)13-16(24-2)19(26-4)21(28-6)20(27-5)17(13)29-15/h7-10H,1-6H3 |
| InChI Key | NXEVGRAOXFKGGA-UHFFFAOYSA-N |
| Popularity | 19 references in papers |
| Molecular Formula | C21H22O8 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.63% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.36% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.36% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.01% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.89% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.47% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.44% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.18% | 96.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.78% | 96.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.00% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.65% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.08% | 97.14% |
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.
| Callicarpa pilosissima |
| Murraya paniculata |
| Quercus ilex |
| Quercus laurifolia |
| Quercus robur |
| Quercus suber |
| Vitex negundo |
| PubChem | 54135212 |
| LOTUS | LTS0020476 |
| wikiData | Q105112234 |