3,7-Dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5-methyl-8-(3-methylbut-2-enyl)chromen-4-one
| Internal ID | 6972ef50-371f-41e6-a341-3c1ac1a7e5c5 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | 3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5-methyl-8-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H28O5/c1-14(2)6-8-17-13-18(9-11-20(17)27)25-24(30)23(29)22-16(5)12-21(28)19(26(22)31-25)10-7-15(3)4/h6-7,9,11-13,27-28,30H,8,10H2,1-5H3 |
| InChI Key | MITAADMITIUBJL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H28O5 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 3,7-Dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5-methyl-8-(3-methylbut-2-enyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/21bbb620-85fc-11ee-8131-59d0c23c7130.jpg "2D Structure of 3,7-Dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5-methyl-8-(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 | 99.60% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.15% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.12% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.09% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.37% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.67% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.25% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.09% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.62% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.73% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.08% | 89.34% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.73% | 83.57% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.15% | 96.12% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.86% | 95.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.76% | 91.71% |
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.
| Broussonetia papyrifera |
| PubChem | 162888548 |
| LOTUS | LTS0080506 |
| wikiData | Q105165219 |