Lilaline
| Internal ID | a4f0930c-55fa-4776-a607-c113f89fa3c1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | 3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]pyrrolidin-2-one |
| SMILES (Canonical) | CC1CC(NC1=O)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O |
| SMILES (Isomeric) | CC1CC(NC1=O)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O |
| InChI | InChI=1S/C20H17NO7/c1-8-6-11(21-20(8)27)14-12(23)7-13(24)15-16(25)17(26)18(28-19(14)15)9-2-4-10(22)5-3-9/h2-5,7-8,11,22-24,26H,6H2,1H3,(H,21,27) |
| InChI Key | YDCRQLJCXBNURP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H17NO7 |
| Molecular Weight | 383.40 g/mol |
| Exact Mass | 383.10050188 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 2.30 |
| 110011-49-9 |
| 3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]pyrrolidin-2-one |
| CHEBI:6461 |
| SCHEMBL9928767 |
| DTXSID60415196 |
| LMPK12111977 |
| NSC793943 |
| NSC-793943 |
| Q27107214 |
| 3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]pyrrolidin-2-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 | 99.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.70% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.42% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.97% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.94% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.63% | 95.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.34% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.19% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.37% | 92.94% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 90.21% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.13% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.61% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.07% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.02% | 86.33% |
| CHEMBL4598 | Q13043 | Serine/threonine-protein kinase MST1 | 85.98% | 96.64% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.03% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.26% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.83% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.43% | 96.09% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.39% | 91.38% |
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.
| Lilium candidum |
| PubChem | 5281826 |
| LOTUS | LTS0081328 |
| wikiData | Q27107214 |