Logo Anses
Logo Interreg

Nsc 349438

  • Formula: C9H12O3

  • Molecular weight: 168.19

  • Smiles: CC(CCC(=O)C1=COC=C1)O

Download

Nsc 349438

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

Names

  • Mycotoxin name: Nsc 349438

  • First synonym: 4-ipomeanol

  • Synonyms: 4-Ipomeanol,32954-58-8,IPOMEANOL,1-Pentanone, 1-(3-furanyl)-4-hydroxy-,1-(furan-3-yl)-4-hydroxypentan-1-one,NSC349438,1-(3-Furyl)-4-hydroxy-1-pentanone,NSC 349438,CHEMBL1743358,NSC-349438,55659-41-1,UNII-URT1FLO407,1-(3-Furyl)-4-hydroxypentanone,CCRIS 705,HSDB 3498,1-(beta-Furyl)-4-hydroxypentanone,1-(3-Furyl)-4-hydroxy-4-pentanone,Pentanone, 1-(3-furyl)-4-hydroxy-,NSC 644432,1-Pentanone, 1-(3-furyl)-4-hydroxy-,NSC644432,NSC644433,URT1FLO407,NSC 644433,(+/-)-4-Ipomeanol,SCHEMBL61911,3-(4-Hydroxypentanoyl)furan,CHEBI:173764,BDBM50418090,AKOS006279860,1-(3-furyl)-4-hydroxy-pentan-1-one,1-(uran-3-yl)-4-hydroxypentan-1-one,1-(3-Furyl)-4-hydroxy-1-pentanone #,NCI60_003112,1-(3-Furanyl)-4-hydroxy-1-pentanone, 9CI,1-Pentanone, 1-(3-furanyl)-4-hydroxy-, (+/-)-,Q27291230,36878-93-0

Identifiers / External links

Structure

  • Smiles: CC(CCC(=O)C1=COC=C1)O

  • Isomeric smiles: CC(CCC(=O)C1=COC=C1)O

  • Inchi: InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3

  • Inchikey: RJYQLMILDVERHH-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C9H12O3

  • Molecular weight: 168.19

  • Monoisotopic mass: 168.078644241

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