Logo Anses
Logo Interreg

Fleephilone

  • Formula: C24H27NO7

  • Molecular weight: 441.50

  • Smiles: CC=CC=CC1=C2C3C(O1)C(CCN3C=C4C2=CC(=O)C(C4=O)(C)OC(=O)CC(C)O)O

Download

Fleephilone

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

Names

  • Mycotoxin name: Fleephilone

  • First synonym: Fleephilone

  • Synonyms: Fleephilone,(2aR,3S,10cR)-3-hydroxy-8-methyl-7,9-dioxo-1-[(1E,3E)-penta-1,3-dien-1-yl]-2a,4,5,8,9,10c-hexahydro-3H,7H-2-oxa-5a-azaaceanthrylen-8-yl 3-hydroxybutanoate,SCHEMBL20199900,CHEBI:65900,Q27134393,3-Hydroxybutyric acid [1-[(1E,3E)-1,3-pentadienyl]-2aalpha,4,5,8,9,10cbeta-hexahydro-3beta-hydroxy-7,9-dioxo-8-methyl-3H,7H-2-oxa-5a-azaaceanthrylen]-8-yl ester

Identifiers / External links

Structure

  • Smiles: CC=CC=CC1=C2C3C(O1)C(CCN3C=C4C2=CC(=O)C(C4=O)(C)OC(=O)CC(C)O)O

  • Isomeric smiles: C/C=C/C=C/C1=C2[C@@H]3[C@@H](O1)[C@H](CCN3C=C4C2=CC(=O)C(C4=O)(C)OC(=O)CC(C)O)O

  • Inchi: InChI=1S/C24H27NO7/c1-4-5-6-7-17-20-14-11-18(28)24(3,32-19(29)10-13(2)26)23(30)15(14)12-25-9-8-16(27)22(31-17)21(20)25/h4-7,11-13,16,21-22,26-27H,8-10H2,1-3H3/b5-4+,7-6+/t13?,16-,21+,22-,24?/m0/s1

  • Inchikey: UOPRBHLVKJBASE-XVSBCJMYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H27NO7

  • Molecular weight: 441.50

  • Monoisotopic mass: 441.1787522

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