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CHEBI:79678 - 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol

ChEBI IDCHEBI:79678
ChEBI Name2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
Stars
ASCII Name2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
DefinitionA member of the class of chromenes that is 2H-1-benzopyran substituted by methyl groups at positions 2 and 2, an ethyl group at position 4, a hydroxy group at position 7, a 1-pyrrolidinylmethyl group at position 6 and a 4-methoxyphenyl group at position 3 respectively.
Last Modified23 June 2015
DownloadsMolfile
FormulaC25H31NO3
Net Charge0
Average Mass393.527
Monoisotopic Mass393.23039
SMILESCCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(O)c(CN3CCCC3)cc21
InChIInChI=1S/C25H31NO3/c1-5-20-21-14-18(16-26-12-6-7-13-26)22(27)15-23(21)29-25(2,3)24(20)17-8-10-19(28-4)11-9-17/h8-11,14-15,27H,5-7,12-13,16H2,1-4H3
InChIKeyKVMDJZAOBOVORV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol (CHEBI:79678) is a chromenes (CHEBI:23232)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol (CHEBI:79678) is a monomethoxybenzene (CHEBI:25235)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol (CHEBI:79678) is a phenols (CHEBI:33853)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol (CHEBI:79678) is a pyrrolidines (CHEBI:38260)
IUPAC Name 
4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-7-ol
Manual XrefsDatabases
C15160KEGG COMPOUND