6-(2,4-Dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
| Internal ID | 0bc53fab-5aa6-4a7f-a082-7c780ce879aa |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=C(C=C(C=C4)O)O)O)CC(O2)C(C)(C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=C(C=C(C=C4)O)O)O)CC(O2)C(C)(C)O)C |
| InChI | InChI=1S/C25H26O7/c1-12(2)5-7-15-23-16(10-19(32-23)25(3,4)30)21(28)20-22(29)17(11-31-24(15)20)14-8-6-13(26)9-18(14)27/h5-6,8-9,11,19,26-28,30H,7,10H2,1-4H3 |
| InChI Key | KXECQYMKLPLCEV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 6-(2,4-Dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/9ae70df0-80c4-11ee-8b27-01de273d3265.jpg "2D Structure of 6-(2,4-Dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-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 | 99.81% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.46% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.38% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.00% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.69% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.67% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.94% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.34% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.94% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.53% | 94.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.07% | 90.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.07% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.86% | 93.56% |
| CHEMBL3194 | P02766 | Transthyretin | 81.67% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.05% | 94.45% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.03% | 85.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.14% | 97.09% |
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.
| Erythrina senegalensis |
| PubChem | 101663504 |
| LOTUS | LTS0026220 |
| wikiData | Q105147292 |