5-Hydroxy-7-(3-methylbut-2-enoxy)-3-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
| Internal ID | 64d17605-bdf4-45e9-a38b-f31413dd60de |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 5-hydroxy-7-(3-methylbut-2-enoxy)-3-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one |
| SMILES (Canonical) | CC(=CCOC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OCC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCOC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OCC=C(C)C)C |
| InChI | InChI=1S/C25H26O5/c1-16(2)9-11-28-19-7-5-18(6-8-19)21-15-30-23-14-20(29-12-10-17(3)4)13-22(26)24(23)25(21)27/h5-10,13-15,26H,11-12H2,1-4H3 |
| InChI Key | QKBHQLLFELAADR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-7-(3-methylbut-2-enoxy)-3-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-7-3-methylbut-2-enoxy-3-4-3-methylbut-2-enoxyphenylchromen-4-one.jpg "2D Structure of 5-Hydroxy-7-(3-methylbut-2-enoxy)-3-[4-(3-methylbut-2-enoxy)phenyl]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 | 98.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.82% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.37% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.18% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.97% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.84% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.15% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.88% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.72% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.97% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.44% | 86.92% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.86% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.80% | 94.45% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.17% | 97.53% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.05% | 93.65% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.31% | 94.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.83% | 95.78% |
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.
| Millettia brandisiana |
| PubChem | 101855821 |
| LOTUS | LTS0199274 |
| wikiData | Q105223007 |