5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-6,8-bis(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
| Internal ID | 50110b61-7a3f-48ef-a658-82f91a7c65c0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H32O6/c1-16(2)7-9-20-25(32)21(10-8-17(3)4)29-24(26(20)33)27(34)22(15-35-29)18-11-12-23(31)19-13-14-30(5,6)36-28(18)19/h7-8,11-15,31-33H,9-10H2,1-6H3 |
| InChI Key | CLXMHBYPZWNJQI-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C30H32O6 |
| Molecular Weight | 488.60 g/mol |
| Exact Mass | 488.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 7.40 |
| CHEBI:193448 |
| DTXSID601107043 |
| 156281-31-1 |
| 5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-6,8-bis(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one |
| 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8-bis(3-methylbut-2-enyl)chromen-4-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 | 99.68% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.55% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.18% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.79% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.91% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.76% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.96% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.12% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.91% | 89.34% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 87.05% | 91.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.44% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.29% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.21% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.10% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.17% | 99.23% |
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.
| Glycyrrhiza uralensis |
| PubChem | 131753032 |
| LOTUS | LTS0130363 |
| wikiData | Q104964080 |