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Yaequinolone E

  • Formula: C22H23NO5

  • Molecular weight: 381.40

  • Smiles: CC(=C)C=CC1=C(C2=C(C=C1)NC(=O)C(C2(C3=CC=C(C=C3)OC)O)OC)O

  • Type: p-Methoxyphenylquinolinone

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Yaequinolone E

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Yaequinolone E

  • First synonym: None

  • Synonyms: Yaequinolone E,Yaequinolone G,(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-((1E)-3-methylbuta-1,3-dienyl)-1,3-dihydroquinolin-2-one,(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(1E)-3-methylbuta-1,3-dienyl]-1,3-dihydroquinolin-2-one,ACon1_001005,CHEBI:193077,NCGC00169766-01,(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(1E)-3-methylbuta-1,3-dien-1-yl]-1,3-dihydroquinolin-2-one

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Structure

  • Smiles: CC(=C)C=CC1=C(C2=C(C=C1)NC(=O)C(C2(C3=CC=C(C=C3)OC)O)OC)O

  • Isomeric smiles: CC(=C)/C=C/C1=C(C2=C(C=C1)NC(=O)[C@@H]([C@]2(C3=CC=C(C=C3)OC)O)OC)O

  • Inchi: InChI=1S/C22H23NO5/c1-13(2)5-6-14-7-12-17-18(19(14)24)22(26,20(28-4)21(25)23-17)15-8-10-16(27-3)11-9-15/h5-12,20,24,26H,1H2,2-4H3,(H,23,25)/b6-5+/t20-,22+/m0/s1

  • Inchikey: QBZBACCGHXCJIP-KJXQILNXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H23NO5

  • Molecular weight: 381.40

  • Monoisotopic mass: 381.15762283

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