4-[1-(5,7-Dihydroxy-6-methyl-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
| Internal ID | c706ea97-aee8-4441-9faa-4bf94136cf9f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 4-[1-(5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione |
| SMILES (Canonical) | CC1=C(C2=C(C(=C1O)C(CC(C)C)C3=C(C(C(=O)C(C3=O)(C)C)(C)C)O)OC(CC2=O)C4=CC=CC=C4)O |
| SMILES (Isomeric) | CC1=C(C2=C(C(=C1O)C(CC(C)C)C3=C(C(C(=O)C(C3=O)(C)C)(C)C)O)OC(CC2=O)C4=CC=CC=C4)O |
| InChI | InChI=1S/C31H36O7/c1-15(2)13-18(22-27(35)30(4,5)29(37)31(6,7)28(22)36)21-24(33)16(3)25(34)23-19(32)14-20(38-26(21)23)17-11-9-8-10-12-17/h8-12,15,18,20,33-35H,13-14H2,1-7H3 |
| InChI Key | WKCSXMGLYRSJKO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H36O7 |
| Molecular Weight | 520.60 g/mol |
| Exact Mass | 520.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 4-[1-(5,7-Dihydroxy-6-methyl-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6dcf08e0-861c-11ee-b5c8-4d5fd4868546.jpg "2D Structure of 4-[1-(5,7-Dihydroxy-6-methyl-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione")
| 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 | 98.59% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.79% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.51% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.37% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.37% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.42% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.20% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.93% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.54% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.51% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.74% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.73% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.22% | 94.73% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.76% | 85.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.94% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.98% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.80% | 94.45% |
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.
| Kunzea baxteri |
| PubChem | 11038633 |
| LOTUS | LTS0069792 |
| wikiData | Q105307233 |