(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(E)-3-methylbut-1-enyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | 8ea9af63-7f4c-4cf3-956e-c291d3cda8c1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(E)-3-methylbut-1-enyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O6/c1-13(2)5-8-17-23(29)18(9-6-14(3)4)25-22(24(17)30)20(28)12-21(31-25)16-10-7-15(26)11-19(16)27/h5-8,10-11,13,21,26-27,29-30H,9,12H2,1-4H3/b8-5+/t21-/m0/s1 |
| InChI Key | XCIRMVJXNNMDAI-FERLCFGISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H28O6 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(E)-3-methylbut-1-enyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/e8914280-858c-11ee-a989-0760fd3ec0d0.jpg "2D Structure of (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(E)-3-methylbut-1-enyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.60% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.57% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.48% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.56% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.62% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.42% | 96.12% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.30% | 96.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 91.37% | 83.10% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.69% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.52% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.21% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.42% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.16% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.25% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.20% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.23% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.32% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.22% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.99% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.77% | 91.49% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.64% | 80.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.47% | 99.17% |
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.
| Sophora flavescens |
| PubChem | 163014511 |
| LOTUS | LTS0137060 |
| wikiData | Q105325164 |