5-Hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-6-methyl-2,3-dihydrochromen-4-one
| Internal ID | f10f8b6c-3b26-4d1d-aa89-6cf1bd47e84f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids |
| IUPAC Name | 5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-6-methyl-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1=C(C=C2C(=C1O)C(=O)C(CO2)C3=C(C=C(C=C3)O)OC)OC |
| SMILES (Isomeric) | CC1=C(C=C2C(=C1O)C(=O)C(CO2)C3=C(C=C(C=C3)O)OC)OC |
| InChI | InChI=1S/C18H18O6/c1-9-13(22-2)7-15-16(17(9)20)18(21)12(8-24-15)11-5-4-10(19)6-14(11)23-3/h4-7,12,19-20H,8H2,1-3H3 |
| InChI Key | UCMOEFQGLWWXJA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.57% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.23% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.51% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.78% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.90% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.34% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.02% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.71% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.08% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.96% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.95% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.57% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.31% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.14% | 99.15% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.08% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.90% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.86% | 93.99% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.45% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.45% | 100.00% |
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.
| Desmodium uncinatum |
| PubChem | 91023830 |
| LOTUS | LTS0169377 |
| wikiData | Q105269999 |