Logo Anses
Logo Interreg

Yaequinolone B

  • Formula: C21H21NO6

  • Molecular weight: 383.40

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

  • Type: p-Methoxyphenylquinolinone

Download

Yaequinolone B

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

Names

  • Mycotoxin name: Yaequinolone B

  • First synonym: None

  • Synonyms: Yaequinolone B_120182,Yaequinolone B,CHEBI:182194,(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(E)-3-oxobut-1-enyl]-1,3-dihydroquinolin-2-one

Identifiers / External links

Structure

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

  • Isomeric smiles: CC(=O)/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/C21H21NO6/c1-12(23)4-5-13-6-11-16-17(18(13)24)21(26,19(28-3)20(25)22-16)14-7-9-15(27-2)10-8-14/h4-11,19,24,26H,1-3H3,(H,22,25)/b5-4+/t19-,21+/m0/s1

  • Inchikey: XYRSQOXRWJBEIG-PXODQFSGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H21NO6

  • Molecular weight: 383.40

  • Monoisotopic mass: 383.13688739

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi