Chem
J-GLOBAL ID：200907012414758795   Nikkaji number：J2.769.068H

Mesembrenone

メセンブレノン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H21NO3
Molecular formula furigana： C17-H21-N-O3
Molecular weight： 287.359
InChI： InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10-11H,6-9H2,1-3H3
InChI key： XPUOZJJNPJXFTD-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C12CCN(C)C1=CC(=O)CC2
Systematic name  (3)：
  • 3a-(3,4-ジメトキシフェニル)-1,2,3,3a,4,5-ヘキサヒドロ-1-メチル-6H-インドール-6-オン
  • 3a-(3,4-ジメトキシフェニル)-1-メチル-2,3,3a,4,5,6-ヘキサヒドロ-1H-インドール-6-オン
  • 3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,3a,4,5,6-hexahydro-1H-indol-6-one
Other name (3)：
  • 3a-(3,4-Dimethoxyphenyl)-1,2,3,3a,4,5-hexahydro-1-methyl-6H-indole-6-one
  • Mesembrenone
  • メセンブレノン
CAS registry number： 80287-15-6
KEGG COMPOUND： C09223
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