8-(1,1-Dimethylallyl)genistein
| Internal ID | f8f021b8-d38a-44ed-9154-dcff2c763a41 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylbut-3-en-2-yl)chromen-4-one |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)O |
| InChI | InChI=1S/C20H18O5/c1-4-20(2,3)17-15(23)9-14(22)16-18(24)13(10-25-19(16)17)11-5-7-12(21)8-6-11/h4-10,21-23H,1H2,2-3H3 |
| InChI Key | PONIGBFVAFAGSR-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H18O5 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 4.60 |
| AKOS040763383 |
| 651750-08-2 |
| 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylbut-3-en-2-yl)chromen-4-one |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.20% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 96.87% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.52% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.80% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.96% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.82% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.43% | 90.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.98% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.14% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 84.66% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.59% | 93.65% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.43% | 91.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.24% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.11% | 91.49% |
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.
| Flemingia macrophylla |
| Flemingia paniculata |
| Flemingia prostrata |
| PubChem | 12096315 |
| LOTUS | LTS0050117 |
| wikiData | Q105212533 |