3-(3,4-Dihydroxy-5-methoxyphenyl)-6-hydroxy-5,7-dimethoxychromen-4-one
| Internal ID | 5e95c82f-55de-49bb-a33d-b826357ccd1d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones |
| IUPAC Name | 3-(3,4-dihydroxy-5-methoxyphenyl)-6-hydroxy-5,7-dimethoxychromen-4-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)O)C2=COC3=CC(=C(C(=C3C2=O)OC)O)OC |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)O)C2=COC3=CC(=C(C(=C3C2=O)OC)O)OC |
| InChI | InChI=1S/C18H16O8/c1-23-12-5-8(4-10(19)16(12)21)9-7-26-11-6-13(24-2)17(22)18(25-3)14(11)15(9)20/h4-7,19,21-22H,1-3H3 |
| InChI Key | LBJJUSWXTOCAPX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H16O8 |
| Molecular Weight | 360.30 g/mol |
| Exact Mass | 360.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.00 |
| 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 | 98.96% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.87% | 94.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 92.79% | 92.98% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.20% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.93% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.72% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.33% | 98.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.08% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.89% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.13% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.70% | 99.15% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.87% | 80.78% |
| CHEMBL3194 | P02766 | Transthyretin | 82.72% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.45% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.31% | 90.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 81.63% | 98.21% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.95% | 94.42% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.82% | 95.64% |
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.
| Iris susiana |
| PubChem | 90736295 |
| LOTUS | LTS0216832 |
| wikiData | Q105149349 |