EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:79542 - 2,3-dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
| Formula | C18H18O6 |
| Net Charge | 0 |
| Average Mass | 330.336 |
| Monoisotopic Mass | 330.11034 |
| SMILES | COc1cc2c(c(OC)c1OC)C(=O)CC(c1ccc(O)cc1)O2 |
| InChI | InChI=1S/C18H18O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-7,9,13,19H,8H2,1-3H3 |
| InChIKey | PDGDCUUTDPJPTI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chromolaena odorata (ncbitaxon:103745) | - | DOI (10.1016/S0031-9422(00)88710-5) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3-dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one (CHEBI:79542) has functional parent flavanone (CHEBI:5070) |
| 2,3-dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one (CHEBI:79542) has role plant metabolite (CHEBI:76924) |
| 2,3-dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one (CHEBI:79542) is a 4'-hydroxyflavanones (CHEBI:140331) |
| 2,3-dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one (CHEBI:79542) is a methoxyflavanone (CHEBI:25240) |
| 2,3-dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one (CHEBI:79542) is a monohydroxyflavanone (CHEBI:38748) |
| IUPAC Name |
|---|
| 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydro-4H-chromen-4-one |
| Synonym | Source |
|---|---|
| 4'-Hydroxy-5,6,7-trimethoxyflavanone | KEGG COMPOUND |