(3S)-7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | 11a14950-c715-4e45-b412-5894378b33db |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | (3S)-7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=C(C=C(C=C4)O)O)O)CC(C(O2)(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=C(C=C(C=C4)O)O)O)C[C@@H](C(O2)(C)C)O)C |
| InChI | InChI=1S/C25H26O7/c1-12(2)5-7-15-23-16(10-19(28)25(3,4)32-23)21(29)20-22(30)17(11-31-24(15)20)14-8-6-13(26)9-18(14)27/h5-6,8-9,11,19,26-29H,7,10H2,1-4H3/t19-/m0/s1 |
| InChI Key | HTKPKXLWWXOBKB-IBGZPJMESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (3S)-7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/bc0b9150-8616-11ee-a4b7-1feda54a177e.jpg "2D Structure of (3S)-7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-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 | 99.90% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.71% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.80% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.76% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.00% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.13% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.78% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.51% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.88% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.87% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.50% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.95% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.73% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.49% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.24% | 97.79% |
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.
| Erythrina senegalensis |
| PubChem | 162857939 |
| LOTUS | LTS0224747 |
| wikiData | Q105033476 |