5,7-Dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-1-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | 3426907b-7ff6-434f-984e-23e95efd4fd5 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-1-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H30O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,9-12,15,19,27-29H,8,13H2,1-5H3 |
| InChI Key | FVNCALCFAPNXKA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-1-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/46282270-86c8-11ee-9462-cbd9dac0fd86.jpg "2D Structure of 5,7-Dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-1-enyl)phenyl]-6-(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 | 99.75% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.86% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.90% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.77% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.33% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.23% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 91.33% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.32% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.12% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.99% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.67% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.57% | 93.99% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.07% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.97% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.70% | 95.89% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.74% | 83.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.36% | 91.19% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.29% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.12% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.62% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.50% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.94% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.32% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.77% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.67% | 94.80% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.14% | 98.75% |
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 tomentosa |
| PubChem | 163013694 |
| LOTUS | LTS0206035 |
| wikiData | Q105002558 |