Logo Anses
Logo Interreg

22-deacetylyanuthone a

  • Formula: C22H32O4

  • Molecular weight: 360.50

  • Smiles: CC(=CCCC(=CCCC(=CCC12C(O1)C(C(=CC2=O)CO)O)C)C)C

  • Type: Epoxycyclohexenone/ Farnesylcyclohexenones (terpen

Download

22-deacetylyanuthone a

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

Names

  • Mycotoxin name: 22-deacetylyanuthone a

  • First synonym: None

  • Synonyms: 22-Deacetylyanuthone A,CHEBI:133844,(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one,(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one,(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)-7-oxabicyclo(4.1.0)hept-3-en-2-one,(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one

Identifiers / External links

Structure

  • Smiles: CC(=CCCC(=CCCC(=CCC12C(O1)C(C(=CC2=O)CO)O)C)C)C

  • Isomeric smiles: CC(=CCC/C(=C/CC/C(=C/C[C@]12[C@H](O1)[C@@H](C(=CC2=O)CO)O)/C)/C)C

  • Inchi: InChI=1S/C22H32O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-22-19(24)13-18(14-23)20(25)21(22)26-22/h7,9,11,13,20-21,23,25H,5-6,8,10,12,14H2,1-4H3/b16-9+,17-11+/t20-,21-,22+/m1/s1

  • Inchikey: NXKIAZOEVGWPKT-UXNGKKSFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H32O4

  • Molecular weight: 360.50

  • Monoisotopic mass: 360.2300595

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