CHEBI:79421 - 3',6'-dihydroxy-2',4,4'-trimethoxy-chalcone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3',6'-dihydroxy-2',4,4'-trimethoxy-chalcone
ChEBI ID CHEBI:79421
Definition A member of the class of chalcones that is trans-chalcone substituted by methoxy groups at positions 2', 4 and 4' and hydroxy groups at positions 3' and 6'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H18O6
Net Charge 0
Average Mass 330.33190
Monoisotopic Mass 330.11034
InChI InChI=1S/C18H18O6/c1-22-12-7-4-11(5-8-12)6-9-13(19)16-14(20)10-15(23-2)17(21)18(16)24-3/h4-10,20-21H,1-3H3/b9-6+
InChIKey JWFZPJWPSOPULW-RMKNXTFCSA-N
SMILES COc1ccc(\C=C\C(=O)c2c(O)cc(OC)c(O)c2OC)cc1
ChEBI Ontology
Outgoing 3',6'-dihydroxy-2',4,4'-trimethoxy-chalcone (CHEBI:79421) has functional parent trans-chalcone (CHEBI:48965)
3',6'-dihydroxy-2',4,4'-trimethoxy-chalcone (CHEBI:79421) is a chalcones (CHEBI:23086)
3',6'-dihydroxy-2',4,4'-trimethoxy-chalcone (CHEBI:79421) is a dimethoxybenzene (CHEBI:51681)
3',6'-dihydroxy-2',4,4'-trimethoxy-chalcone (CHEBI:79421) is a hydroquinones (CHEBI:24646)
IUPAC Name
(2E)-1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Synonym Source
1-(3,6-Dihydroxy-2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one KEGG COMPOUND
Manual Xref Database
C14894 KEGG COMPOUND
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Registry Number Type Source
3165682 Reaxys Registry Number Reaxys
Last Modified
01 June 2015