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CHEBI:85123 - 4'-O-methylbavachalcone

ChEBI IDCHEBI:85123
ChEBI Name4'-O-methylbavachalcone
Stars
ASCII Name4'-O-methylbavachalcone
DefinitionA member if the class of chalcones that is trans-chalcone substituted by a prenyl group at position 5', a hydroxy group at position 2' and methoxy groups at positions 4' and 4 respectively.
Last Modified6 March 2015
Submitternamrata
DownloadsMolfile
FormulaC22H24O4
Net Charge0
Average Mass352.430
Monoisotopic Mass352.16746
SMILESCOc1ccc(/C=C/C(=O)c2cc(CC=C(C)C)c(OC)cc2O)cc1
InChIInChI=1S/C22H24O4/c1-15(2)5-9-17-13-19(21(24)14-22(17)26-4)20(23)12-8-16-6-10-18(25-3)11-7-16/h5-8,10-14,24H,9H2,1-4H3/b12-8+
InChIKeyGCEGUTHXMYHGKF-XYOKQWHBSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
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)
4'-O-methylbavachalcone (CHEBI:85123) has role plant metabolite (CHEBI:76924)
4'-O-methylbavachalcone (CHEBI:85123) is a aromatic ether (CHEBI:35618)
4'-O-methylbavachalcone (CHEBI:85123) is a chalcones (CHEBI:23086)
4'-O-methylbavachalcone (CHEBI:85123) is a phenols (CHEBI:33853)
IUPAC Name 
(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
Synonym  Source
2'-hydroxy-5'-prenyl-4,4'-dimethoxychalconeChEBI
Registry NumbersSources
Reaxys:21307944Reaxys