7-[3,6-Dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
| Internal ID | 2c7e05e2-d553-4974-856c-c7ff7275996d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones > 2-prenylated isoflavones |
| IUPAC Name | 7-[3,6-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)O)O)C |
| InChI | InChI=1S/C25H24O6/c1-13(2)5-6-14-17(26)7-8-18(27)21(14)16-12-30-20-11-19-15(9-10-25(3,4)31-19)23(28)22(20)24(16)29/h5,7-12,26-28H,6H2,1-4H3 |
| InChI Key | YCRACNDSQDCXLH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.50 |
| NSC-615481 |
![2D Structure of 7-[3,6-Dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-36-dihydroxy-2-3-methylbut-2-enylphenyl-5-hydroxy-22-dimethylpyrano32-gchromen-6-one.jpg "2D Structure of 7-[3,6-Dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethylpyrano[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 | 99.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.71% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.30% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.14% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.98% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.98% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.39% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.04% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.05% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.88% | 99.15% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.23% | 90.24% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.25% | 91.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.23% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.89% | 95.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.47% | 80.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.02% | 83.10% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.16% | 89.34% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.84% | 94.75% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.53% | 97.28% |
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.
| Maclura cochinchinensis |
| PubChem | 5386667 |
| LOTUS | LTS0176573 |
| wikiData | Q105346438 |