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Yaequinolone F

  • Formula: C27H31NO6

  • Molecular weight: 465.50

  • Smiles: CC(=C)C1CCC(O1)(C)C=CC2=C(C3=C(C=C2)NC(=O)C(C3(C4=CC=C(C=C4)OC)O)OC)O

  • Type: p-Methoxyphenylquinolinone

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Yaequinolone F

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

Names

  • Mycotoxin name: Yaequinolone F

  • First synonym: None

  • Synonyms: Yaequinolone F,CHEBI:204234,(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(E)-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)ethenyl]-1,3-dihydroquinolin-2-one

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Structure

  • Smiles: CC(=C)C1CCC(O1)(C)C=CC2=C(C3=C(C=C2)NC(=O)C(C3(C4=CC=C(C=C4)OC)O)OC)O

  • Isomeric smiles: CC(=C)C1CCC(O1)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@@H]([C@]3(C4=CC=C(C=C4)OC)O)OC)O

  • Inchi: InChI=1S/C27H31NO6/c1-16(2)21-13-15-26(3,34-21)14-12-17-6-11-20-22(23(17)29)27(31,24(33-5)25(30)28-20)18-7-9-19(32-4)10-8-18/h6-12,14,21,24,29,31H,1,13,15H2,2-5H3,(H,28,30)/b14-12+/t21?,24-,26?,27+/m0/s1

  • Inchikey: BNZZZUQOYBAEPR-NWNQVQQSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H31NO6

  • Molecular weight: 465.50

  • Monoisotopic mass: 465.21513771

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