EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79580 - 4',7-dimethoxy-2,2,4-trimethyl-Δ3-isoflavan

ChEBI IDCHEBI:79580
ChEBI Name4',7-dimethoxy-2,2,4-trimethyl-Δ3-isoflavan
Stars
ASCII Name4',7-dimethoxy-2,2,4-trimethyl-Delta(3)-isoflavan
DefinitionA methoxyisoflavan that is isoflavan carrying a double bond across positions 3 and 4, methoxy groups at positions 7 and 4' and methyl groups at positions 2, 2 and 4 respectively.
Last Modified3 June 2015
DownloadsMolfile
FormulaC20H22O3
Net Charge0
Average Mass310.393
Monoisotopic Mass310.15689
SMILESCOc1ccc(C2=C(C)c3ccc(OC)cc3OC2(C)C)cc1
InChIInChI=1S/C20H22O3/c1-13-17-11-10-16(22-5)12-18(17)23-20(2,3)19(13)14-6-8-15(21-4)9-7-14/h6-12H,1-5H3
InChIKeyPNVONQDZKVXBHJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4',7-dimethoxy-2,2,4-trimethyl-Δ3-isoflavan (CHEBI:79580) has parent hydride isoflavan (CHEBI:38740)
4',7-dimethoxy-2,2,4-trimethyl-Δ3-isoflavan (CHEBI:79580) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name 
7-methoxy-3-(4-methoxyphenyl)-2,2,4-trimethyl-2H-1-benzopyran
Manual XrefsDatabases
C15060KEGG COMPOUND
Registry NumbersSources
Reaxys:1291547Reaxys