Linderatone
| Internal ID | a81a1837-79a0-43c8-a102-25fbefb0d433 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
| IUPAC Name | 5,7-dihydroxy-6-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-2-phenyl-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1=CC(C(CC1)C(C)C)C2=C(C3=C(C=C2O)OC(CC3=O)C4=CC=CC=C4)O |
| SMILES (Isomeric) | CC1=CC(C(CC1)C(C)C)C2=C(C3=C(C=C2O)OC(CC3=O)C4=CC=CC=C4)O |
| InChI | InChI=1S/C25H28O4/c1-14(2)17-10-9-15(3)11-18(17)23-19(26)13-22-24(25(23)28)20(27)12-21(29-22)16-7-5-4-6-8-16/h4-8,11,13-14,17-18,21,26,28H,9-10,12H2,1-3H3 |
| InChI Key | KTVKIASZLSYKIA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.70 |
| SCHEMBL3130510 |
| LMPK12140210 |
| 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 | 99.06% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.79% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.74% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.89% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.78% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.50% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.40% | 99.15% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.83% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.89% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.61% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.42% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.29% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.93% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.53% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.18% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.46% | 93.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.69% | 93.99% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.50% | 83.00% |
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.
| Lindera umbellata |
| Piper hostmannianum |
| PubChem | 14781322 |
| LOTUS | LTS0178913 |
| wikiData | Q104397732 |