3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2H-chromen-4-one
| Internal ID | 988ce010-8c61-4cbc-b710-ebf8670a21ac |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | 3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2H-chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)O)C |
| InChI | InChI=1S/C21H22O7/c1-11(2)4-5-13-15(23)7-6-14(19(13)27-3)21(26)10-28-17-9-12(22)8-16(24)18(17)20(21)25/h4,6-9,22-24,26H,5,10H2,1-3H3 |
| InChI Key | LMFCHRAKSGPODM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O7 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2H-chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/357-trihydroxy-3-4-hydroxy-2-methoxy-3-3-methylbut-2-enylphenyl-2h-chromen-4-one.jpg "2D Structure of 3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2H-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.78% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.94% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.98% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.85% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.65% | 96.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.77% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.37% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.57% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.31% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.52% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.16% | 93.40% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.69% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.30% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.25% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.70% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 82.84% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.60% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.06% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.21% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.79% | 94.75% |
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 koreensis |
| Sophora tomentosa |
| PubChem | 162942050 |
| LOTUS | LTS0250080 |
| wikiData | Q105153937 |