2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]methyl]chromen-4-one
| Internal ID | 5bac8f2b-b4ea-42b3-a882-c77c7e4a1df4 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 6-prenylated flavones |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]methyl]chromen-4-one |
| SMILES (Canonical) | CC1(CCCC(C1CC2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)(C)O)C |
| SMILES (Isomeric) | C[C@@]1(CCCC([C@@H]1CC2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)(C)C)O |
| InChI | InChI=1S/C25H28O7/c1-24(2)7-4-8-25(3,31)21(24)10-14-16(27)11-20-22(23(14)30)18(29)12-19(32-20)13-5-6-15(26)17(28)9-13/h5-6,9,11-12,21,26-28,30-31H,4,7-8,10H2,1-3H3/t21-,25-/m0/s1 |
| InChI Key | IEDRNKKFHHTLRT-OFVILXPXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O7 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]methyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1739b0e0-86dd-11ee-91fd-75b684eaa142.jpg "2D Structure of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[[(1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl]methyl]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 | 99.86% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.69% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.08% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.48% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.07% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.75% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.45% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.62% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.37% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.89% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.81% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.44% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.75% | 85.11% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 86.88% | 90.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.67% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.38% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.82% | 94.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.53% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.22% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.15% | 95.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.23% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.11% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.04% | 92.62% |
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.
| Helminthostachys zeylanica |
| PubChem | 44234196 |
| LOTUS | LTS0182802 |
| wikiData | Q105111718 |