Lupisoflavone
| Internal ID | 45f4bf37-6e90-4326-ab9f-4288d05e7b3a |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3)O)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3)O)OC)O)C |
| InChI | InChI=1S/C21H20O6/c1-11(2)4-6-13-16(23)9-18-19(20(13)24)21(25)14(10-27-18)12-5-7-15(22)17(8-12)26-3/h4-5,7-10,22-24H,6H2,1-3H3 |
| InChI Key | XDDUYHWIRGRNAR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.60 |
| 0OUB11IT5B |
| UNII-0OUB11IT5B |
| 85966-81-0 |
| 5,7-Dihydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-(3-methylbut-2-enyl)chromen-4-one |
| 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)- |
| AKOS040752754 |
| 5,7,4'-trihydroxy-3'-methoxy-6-c-prenylisoflavone |
| 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 | 99.15% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.66% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.16% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.94% | 94.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.10% | 98.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.10% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.29% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.73% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.41% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.28% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.02% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.26% | 96.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.69% | 97.28% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.61% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 84.56% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.57% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.48% | 94.45% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.05% | 83.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.50% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.22% | 95.17% |
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.
| Lupinus albus |
| Lupinus luteus |
| Wyethia angustifolia |
| PubChem | 101602348 |
| LOTUS | LTS0148021 |
| wikiData | Q104388031 |