3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone
| Internal ID | f1665010-53c7-420b-9598-647f5ca5ab63 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 6-prenylated flavones |
| IUPAC Name | 3,5,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C(=C1OC)O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C(=C1OC)O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O)C |
| InChI | InChI=1S/C22H22O8/c1-10(2)5-7-12-16(24)15-17(25)18(26)20(30-22(15)19(27)21(12)29-4)11-6-8-13(23)14(9-11)28-3/h5-6,8-9,23-24,26-27H,7H2,1-4H3 |
| InChI Key | LTODEFQVMVALNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O8 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 4.40 |
| CHEBI:179273 |
| LMPK12113230 |
| 3,5,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)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 | 99.61% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 97.23% | 98.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.52% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.51% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.97% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.69% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.74% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.83% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.36% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.58% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.31% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.86% | 85.30% |
| CHEMBL3194 | P02766 | Transthyretin | 85.21% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.63% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.52% | 89.34% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.05% | 95.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.78% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.17% | 95.50% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.12% | 86.92% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.66% | 97.21% |
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.
| Melicope micrococca |
| PubChem | 15491286 |
| LOTUS | LTS0182195 |
| wikiData | Q105157059 |