2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-1-enyl)-3-(3-methylbut-2-enyl)chromen-4-one
| Internal ID | 3b778046-15af-427b-847a-7651695705e3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-1-enyl)-3-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(C)C=CC1=C(C2=C(C=C1O)OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC(C)C=CC1=C(C2=C(C=C1O)OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O |
| InChI | InChI=1S/C25H26O6/c1-13(2)5-8-16-20(28)12-21-22(23(16)29)24(30)18(9-6-14(3)4)25(31-21)17-10-7-15(26)11-19(17)27/h5-8,10-13,26-29H,9H2,1-4H3 |
| InChI Key | ZKLKJLSAAKJRDT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.40 |
| 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 | 99.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.12% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.29% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.06% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.55% | 95.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.21% | 83.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.72% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.99% | 91.49% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.83% | 93.10% |
| CHEMBL3194 | P02766 | Transthyretin | 88.50% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.42% | 90.71% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 87.82% | 91.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.67% | 96.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.54% | 95.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.39% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.04% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.50% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.03% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.46% | 99.17% |
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.
| Artocarpus heterophyllus |
| Artocarpus hypargyreus |
| PubChem | 74332618 |
| LOTUS | LTS0172932 |
| wikiData | Q105378555 |