Chem
J-GLOBAL ID：200907009723848153   Nikkaji number：J1.068.807H

Isoxanthohumol

イソキサントフモール
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： C21H20O5
Molecular formula furigana： C21-H20-O5
Molecular weight： 352.386
InChI： InChI=1S/C21H20O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
InChI key： VMCGWTZWOGHUSC-UHFFFAOYSA-N
SMILES： COc1cc(O)c(CC=C(C)C)c2oc(cc(=O)c12)c1ccc(O)cc1
Systematic name  (3)：
  • 2-(4-ヒドロキシフェニル)-5-メトキシ-7-ヒドロキシ-8-(3-メチル-2-ブテニル)-4H-1-ベンゾピラン-4-オン
  • 7-ヒドロキシ-2-(4-ヒドロキシフェニル)-5-メトキシ-8-(3-メチルブタ-2-エン-1-イル)-4H-クロメン-4-オン
  • 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Other name (3)：
  • 2-(4-Hydroxyphenyl)-5-methoxy-7-hydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
  • イソキサントフモール
  • Isoxanthohumol
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