10-[(2R)-2-hydroperoxy-3-methylbut-3-enyl]-5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | f098e24d-249d-444c-83cb-dfb444b53906 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 10-[(2R)-2-hydroperoxy-3-methylbut-3-enyl]-5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=C)C(CC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)CCC(O2)(C)C)OO |
| SMILES (Isomeric) | CC(=C)[C@@H](CC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)CCC(O2)(C)C)OO |
| InChI | InChI=1S/C25H26O7/c1-13(2)19(32-29)11-17-23-16(9-10-25(3,4)31-23)21(27)20-22(28)18(12-30-24(17)20)14-5-7-15(26)8-6-14/h5-8,12,19,26-27,29H,1,9-11H2,2-4H3/t19-/m1/s1 |
| InChI Key | YMKGTIBFPRPVFB-LJQANCHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 10-[(2R)-2-hydroperoxy-3-methylbut-3-enyl]-5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/bf0fa950-8638-11ee-a0cb-f90aa61dbf8e.jpg "2D Structure of 10-[(2R)-2-hydroperoxy-3-methylbut-3-enyl]-5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[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 | 99.34% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.98% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.45% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.85% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.68% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.18% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.74% | 97.93% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.13% | 98.35% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.76% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.58% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.35% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.08% | 91.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.81% | 95.64% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.63% | 93.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.23% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.82% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.36% | 95.78% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.24% | 97.79% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.27% | 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.
| Millettia pachycarpa |
| PubChem | 163106743 |
| LOTUS | LTS0108754 |
| wikiData | Q105350575 |