Chem
J-GLOBAL ID：200907082835311305   Nikkaji number：J367.543B

Prenyl caffeate

プレニルカフェアート
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： C14H16O4
Molecular formula furigana： C14-H16-O4
Molecular weight： 248.278
InChI： InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+
InChI key： TTYOHMFLCXENHR-GQCTYLIASA-N
SMILES： CC(=CCOC(=O)/C=C/c1ccc(O)c(O)c1)C
Systematic name  (4)：
  • (E)-3-(3,4-ジヒドロキシフェニル)プロペン酸3-メチル-2-ブテニル
  • 3,4-ジヒドロキシ-trans-けい皮酸3-メチル-2-ブテニル
  • 3-メチルブタ-2-エン-1-イル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (4)：
  • (E)-3-(3,4-Dihydroxyphenyl)propenoic acid 3-methyl-2-butenyl ester
  • 3,4-Dihydroxy-trans-cinnamic acid 3-methyl-2-butenyl ester
  • Prenyl caffeate
  • プレニルカフェアート
CAS registry number： 118971-61-2
KEGG COMPOUND： C10487
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