7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone
| Internal ID | 36e4628d-7d8a-4b15-80b6-3466bcbe5773 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-8-methoxy-7-(3-methylbut-2-enoxy)chromen-4-one |
| SMILES (Canonical) | CC(=CCOC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC)C |
| SMILES (Isomeric) | CC(=CCOC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC)C |
| InChI | InChI=1S/C22H20O6/c1-13(2)8-9-25-18-7-5-15-20(23)16(11-26-21(15)22(18)24-3)14-4-6-17-19(10-14)28-12-27-17/h4-8,10-11H,9,12H2,1-3H3 |
| InChI Key | ALIAPFPESXJZKP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O6 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 4.40 |
| C22H20O6 |
| LMPK12050138 |
| 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 | 98.11% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.78% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.59% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.74% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.00% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.32% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.90% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.20% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.73% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.97% | 92.62% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.94% | 95.78% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.32% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.94% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.00% | 94.73% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.99% | 92.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.46% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.16% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.84% | 90.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.76% | 96.09% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 82.47% | 85.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.06% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.95% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.71% | 95.50% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.21% | 92.98% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.13% | 95.12% |
| CHEMBL240 | Q12809 | HERG | 80.97% | 89.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.89% | 95.89% |
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.
| Calopogonium mucunoides |
| PubChem | 44257261 |
| LOTUS | LTS0133672 |
| wikiData | Q103816225 |