5,7-Dihydroxy-3'-(3-hydroxymethylbutyl)-3,6,4'-trimethoxyflavone
| Internal ID | 3132016b-e718-488c-8ce8-c7cd414572e3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one |
| SMILES (Canonical) | CC(CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OC)CO |
| SMILES (Isomeric) | CC(CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OC)CO |
| InChI | InChI=1S/C23H26O8/c1-12(11-24)5-6-13-9-14(7-8-16(13)28-2)21-23(30-4)20(27)18-17(31-21)10-15(25)22(29-3)19(18)26/h7-10,12,24-26H,5-6,11H2,1-4H3 |
| InChI Key | XILGLRLCQZPKFI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H26O8 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
| 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 | 97.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.38% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.70% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.02% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.82% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.35% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.96% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.01% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.71% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.35% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.08% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.14% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.33% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.82% | 93.31% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.60% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.52% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.03% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.32% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.23% | 92.62% |
| CHEMBL3194 | P02766 | Transthyretin | 82.16% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.06% | 95.50% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.41% | 86.92% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.99% | 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.
| Dodonaea viscosa |
| PubChem | 102236529 |
| LOTUS | LTS0143524 |
| wikiData | Q105328566 |