5-Methoxy-2,2-dimethyl-7-[4-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one
| Internal ID | c842bfb1-d397-4159-8d1b-e0e981e2e5e3 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5-methoxy-2,2-dimethyl-7-[4-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H26O4/c1-16(2)6-7-17-8-10-18(11-9-17)20-15-29-22-14-21-19(12-13-26(3,4)30-21)25(28-5)23(22)24(20)27/h6,8-15H,7H2,1-5H3 |
| InChI Key | MBKOHMUWTSBESL-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H26O4 |
| Molecular Weight | 402.50 g/mol |
| Exact Mass | 402.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 6.00 |
| CHEMBL1986980 |
| NSC-683691 |
| 5-methoxy-2,2-dimethyl-7-[4-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one |
| NCI60_030055 |
| 5-O-Methyl-4'-O-(3-methyl-2-butenyl)alpinumisoflavone |
| 5-Methoxy-2,2-dimethyl-7-(4-(3-methyl-2-butenyl)phenyl)-2H,6H-pyrano[3,2-g]chromen-6-one |
![2D Structure of 5-Methoxy-2,2-dimethyl-7-[4-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methoxy-22-dimethyl-7-4-3-methylbut-2-enylphenylpyrano32-gchromen-6-one.jpg "2D Structure of 5-Methoxy-2,2-dimethyl-7-[4-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-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 | 98.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.70% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.89% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.11% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.97% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.21% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.23% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.13% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.20% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.99% | 97.28% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.65% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.27% | 92.62% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.26% | 90.24% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.06% | 86.92% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 83.59% | 97.50% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.19% | 92.98% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.87% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.76% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.47% | 95.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.02% | 95.83% |
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 thonningii |
| PubChem | 388673 |
| LOTUS | LTS0133488 |
| wikiData | Q105160822 |