Luteorosin
| Internal ID | a2b2e73d-a09f-4d7f-a132-a2fc8723b4bd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [7-acetyl-6-[(3,3-dimethylcyclohexyl)methyl]-3-oxo-1H-2-benzofuran-1-yl] acetate |
| SMILES (Canonical) | CC(=O)C1=C(C=CC2=C1C(OC2=O)OC(=O)C)CC3CCCC(C3)(C)C |
| SMILES (Isomeric) | CC(=O)C1=C(C=CC2=C1C(OC2=O)OC(=O)C)CC3CCCC(C3)(C)C |
| InChI | InChI=1S/C21H26O5/c1-12(22)17-15(10-14-6-5-9-21(3,4)11-14)7-8-16-18(17)20(25-13(2)23)26-19(16)24/h7-8,14,20H,5-6,9-11H2,1-4H3 |
| InChI Key | RGZDSRRDRQIAFS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 4.70 |
| Luteorosin |
| DTXSID40926093 |
| 1(3H)-Isobenzofuranone, 4-acetyl-3-(acetyloxy)-5-((3,3-dimethylcyclohexyl)methyl)- |
| 7-Acetyl-6-[(3,3-dimethylcyclohexyl)methyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl acetate |
| 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 | 99.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.05% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.17% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.10% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.96% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.77% | 92.62% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.05% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.00% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.98% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.75% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.24% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.01% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.82% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.55% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.13% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 182884 |
| LOTUS | LTS0111086 |
| wikiData | Q82900566 |