5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-methoxychromen-4-one
| Internal ID | f673c944-2703-4b66-a492-8e9e66af5e9e |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)OC2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)OC2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O |
| InChI | InChI=1S/C17H14O8/c1-22-12-5-8(3-4-9(12)18)24-14-7-10(19)15-13(25-14)6-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3 |
| InChI Key | BQFFZXPBCQFCIT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O8 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.70 |
| 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 | 99.21% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.68% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.45% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.46% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.07% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.53% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 90.39% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.04% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.26% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.82% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.97% | 85.14% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.17% | 80.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.07% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.90% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.51% | 94.42% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.17% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.96% | 94.73% |
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.
| Mimosa tenuiflora |
| PubChem | 129716140 |
| LOTUS | LTS0213441 |
| wikiData | Q104944320 |