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CHEBI:79680 - 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol

ChEBI IDCHEBI:79680
ChEBI Name2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
Stars
ASCII Name2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(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 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)Oc2c1ccc(O)c2CN1CCCC1
InChIInChI=1S/C25H31NO3/c1-5-19-20-12-13-22(27)21(16-26-14-6-7-15-26)24(20)29-25(2,3)23(19)17-8-10-18(28-4)11-9-17/h8-13,27H,5-7,14-16H2,1-4H3
InChIKeySBRIHEHOOSDSDU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol (CHEBI:79680) is a chromenes (CHEBI:23232)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol (CHEBI:79680) is a monomethoxybenzene (CHEBI:25235)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol (CHEBI:79680) is a phenols (CHEBI:33853)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol (CHEBI:79680) is a pyrrolidines (CHEBI:38260)
IUPAC Name 
4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-7-ol
Manual XrefsDatabases
C15162KEGG COMPOUND