Logo Anses
Logo Interreg

Neosporol

  • Formula: C15H22O4

  • Molecular weight: 266.33

  • Smiles: CC12CCC3(CO1)C4(CCC5C4(OC3(C2)O5)CO)C

  • Type: Trichothecene

Download

Neosporol

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

Names

  • Mycotoxin name: Neosporol

  • First synonym: None

  • Synonyms: Neosporol,94D5FO7TZX,UNII-94D5FO7TZX,124699-58-7,Trichothecan-13-ol, 9,15:11,12-diepoxy-, (9alpha,11beta,12R)-,TRICHOTHECAN-13-OL, 9,15:11,12-DIEPOXY-, (9.ALPHA.,11.BETA.,12R)-,((1R,2R,5R,6R,8R,10S)-2,10-dimethyl-7,11,15-trioxapentacyclo(8.2.2.15,8.01,8.02,6)pentadecan-6-yl)methanol,[(1R,2R,5R,6R,8R,10S)-2,10-dimethyl-7,11,15-trioxapentacyclo[8.2.2.15,8.01,8.02,6]pentadecan-6-yl]methanol,Q27271671

Identifiers / External links

Structure

  • Smiles: CC12CCC3(CO1)C4(CCC5C4(OC3(C2)O5)CO)C

  • Isomeric smiles: C[C@@]12CC[C@]3(CO1)[C@]4(CC[C@@H]5[C@]4(O[C@@]3(C2)O5)CO)C

  • Inchi: InChI=1S/C15H22O4/c1-11-5-6-13(9-17-11)12(2)4-3-10-14(12,8-16)19-15(13,7-11)18-10/h10,16H,3-9H2,1-2H3/t10-,11+,12-,13+,14-,15-/m1/s1

  • Inchikey: JZBQVIVQWFTPFM-ARSDKDGVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H22O4

  • Molecular weight: 266.33

  • Monoisotopic mass: 266.15180918

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