EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:116549 - 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester
| Formula | C20H26N2O5 |
| Net Charge | 0 |
| Average Mass | 374.437 |
| Monoisotopic Mass | 374.18417 |
| SMILES | COc1cc(C2NC(=O)NC(C)=C2C(=O)OC2CCCC(C)C2)ccc1O |
| InChI | InChI=1S/C20H26N2O5/c1-11-5-4-6-14(9-11)27-19(24)17-12(2)21-20(25)22-18(17)13-7-8-15(23)16(10-13)26-3/h7-8,10-11,14,18,23H,4-6,9H2,1-3H3,(H2,21,22,25) |
| InChIKey | WQANRCGOBKNGNW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester (CHEBI:116549) is a methoxybenzenes (CHEBI:51683) |
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester (CHEBI:116549) is a phenols (CHEBI:33853) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28004 | LINCS |