Chem
J-GLOBAL ID：200907060486842132   Nikkaji number：J258.537E

Futoquinol

フトキノール
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： C21H22O5
Molecular formula furigana： C21-H22-O5
Molecular weight： 354.402
InChI： InChI=1S/C21H22O5/c1-5-6-16-12-21(24-4,20(23-3)11-17(16)22)14(2)9-15-7-8-18-19(10-15)26-13-25-18/h5,7-12H,1,6,13H2,2-4H3/b14-9+/t21-/m0/s1
InChI key： AOZTYYBGNNXAOI-PBAKHKOTSA-N
SMILES： COC1=CC(=O)C(=C[C@]1(OC)/C(=C/c1ccc2OCOc2c1)/C)CC=C
Systematic name  (3)：
  • (4S)-4-[(E)-2-(1,3-ベンゾジオキソール-5-イル)-1-メチルエテニル]-4,5-ジメトキシ-2-(2-プロペニル)-2,5-シクロヘキサジエン-1-オン
  • (4S)-4-[(1E)-1-(2H-1,3-ベンゾジオキソール-5-イル)プロパ-1-エン-2-イル]-4,5-ジメトキシ-2-(プロパ-2-エン-1-イル)シクロヘキサ-2,5-ジエン-1-オン
  • (4S)-4-[(1E)-1-(2H-1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-one
Other name (3)：
  • Futoquinol
  • フトキノール
  • (4S)-4-[(E)-2-(1,3-Benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propenyl)-2,5-cyclohexadien-1-one
CAS registry number： 28178-92-9
KEGG COMPOUND： C10574
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