5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)chromen-4-one
| Internal ID | f2105533-f9ec-4118-bcf3-114c66d2e4c4 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)chromen-4-one |
| SMILES (Canonical) | CC1=CC(C(CC1)C(=C)C)C2=C(C=C(C3=C2OC=C(C3=O)C4=CC=C(C=C4)O)O)O |
| SMILES (Isomeric) | CC1=CC(C(CC1)C(=C)C)C2=C(C=C(C3=C2OC=C(C3=O)C4=CC=C(C=C4)O)O)O |
| InChI | InChI=1S/C25H24O5/c1-13(2)17-9-4-14(3)10-18(17)22-20(27)11-21(28)23-24(29)19(12-30-25(22)23)15-5-7-16(26)8-6-15/h5-8,10-12,17-18,26-28H,1,4,9H2,2-3H3 |
| InChI Key | LRYZMDSDXSWBMU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O5 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 5.60 |
| 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 | 98.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.43% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.55% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.40% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.11% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.01% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.44% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.15% | 91.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.71% | 95.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.25% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.13% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.71% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.25% | 95.89% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.92% | 98.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.49% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.91% | 90.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.51% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.37% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.34% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.92% | 96.21% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.77% | 91.38% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.10% | 93.65% |
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.
| Astragalus trimestris |
| Ficus septica |
| PubChem | 124222283 |
| LOTUS | LTS0199667 |
| wikiData | Q104403058 |