5,7-Dihydroxy-6-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | de57fc59-418d-4509-ae89-3be540990b02 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
| IUPAC Name | 5,7-dihydroxy-6-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC(CC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3O)O)O)O)C(=C)C)C |
| SMILES (Isomeric) | CC(=CCC(CC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3O)O)O)O)C(=C)C)C |
| InChI | InChI=1S/C25H28O7/c1-12(2)5-6-14(13(3)4)7-16-17(27)10-22-24(25(16)31)20(30)11-21(32-22)23-18(28)8-15(26)9-19(23)29/h5,8-10,14,21,26-29,31H,3,6-7,11H2,1-2,4H3 |
| InChI Key | WTIQDOKIDGQYSN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O7 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 5.40 |
| 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 | 99.23% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.96% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.28% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.29% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.51% | 96.12% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.79% | 92.68% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.79% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.83% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.47% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.99% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.68% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.06% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.85% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.80% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.70% | 100.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.37% | 83.10% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.05% | 95.64% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.52% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.37% | 86.33% |
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.
| Sophora exigua |
| PubChem | 74819410 |
| LOTUS | LTS0071973 |
| wikiData | Q105312568 |