2-(3,4-Dimethoxy-5-methylphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
| Internal ID | 256d18a1-6703-40de-b5d7-ad891985eab0 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids |
| IUPAC Name | 2-(3,4-dimethoxy-5-methylphenyl)-5,7-dihydroxy-3-methoxychromen-4-one |
| SMILES (Canonical) | CC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC |
| SMILES (Isomeric) | CC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC |
| InChI | InChI=1S/C19H18O7/c1-9-5-10(6-14(23-2)17(9)24-3)18-19(25-4)16(22)15-12(21)7-11(20)8-13(15)26-18/h5-8,20-21H,1-4H3 |
| InChI Key | KDYNYYVTPUGNDF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O7 |
| Molecular Weight | 358.30 g/mol |
| Exact Mass | 358.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 3.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.35% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.27% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.22% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.19% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.80% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.83% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.80% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.10% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.74% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.51% | 99.15% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.76% | 93.65% |
| CHEMBL3194 | P02766 | Transthyretin | 86.76% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.60% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.19% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.48% | 95.50% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.04% | 98.11% |
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.
| Haplopappus integerrimus |
| PubChem | 162919287 |
| LOTUS | LTS0007990 |
| wikiData | Q105139823 |