3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
| Internal ID | c085cdad-8e3c-4b9c-9862-9cf2743ef79a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | 3,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxychromen-4-one |
| SMILES (Canonical) | CC(CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3OC)OC)O)O)O)CO |
| SMILES (Isomeric) | CC(CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3OC)OC)O)O)O)CO |
| InChI | InChI=1S/C22H24O8/c1-11(10-23)4-5-12-8-13(6-7-14(12)24)20-19(27)18(26)17-16(30-20)9-15(25)21(28-2)22(17)29-3/h6-9,11,23-25,27H,4-5,10H2,1-3H3 |
| InChI Key | QKQBCMSTNUQLPW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H24O8 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 3.00 |
| LMPK12112857 |
![2D Structure of 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/37-dihydroxy-2-4-hydroxy-3-4-hydroxy-3-methylbutylphenyl-56-dimethoxy-4h-1-benzopyran-4-one.jpg "2D Structure of 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-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 | 99.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.21% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.65% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.34% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.14% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.01% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.43% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.69% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.36% | 93.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.25% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.26% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.11% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.19% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.43% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.37% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.01% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.51% | 85.14% |
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.
| Duranta erecta |
| PubChem | 10573935 |
| LOTUS | LTS0122407 |
| wikiData | Q104667499 |