Logo Anses
Logo Interreg

Apotrichodiol

  • Formula: C15H24O3

  • Molecular weight: 252.35

  • Smiles: CC1=CC2C(CC1)(C3(CC(CC3(O2)CO)O)C)C

  • Type: Trichothecene

Download

Apotrichodiol

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

Names

  • Mycotoxin name: Apotrichodiol

  • First synonym: Apotrichodiol

  • Synonyms: Apotrichodiol,104148-45-0,3alpha,13-Dihydroxy-apotrichothec-9-ene,DTXSID50908825,CHEBI:174336,(2R,3aR,4aS,8aR,8bR)-3a-(hydroxymethyl)-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol,(2R,3aR,4aS,8aR,8bR)-3a-(hydroxymethyl)-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzouran-2-ol,3a-(Hydroxymethyl)-6,8a,8b-trimethyl-2,3,3a,4a,7,8,8a,8b-octahydro-1H-benzo[b]cyclopenta[d]furan-2-ol,3aH-Cyclopenta(b)benzofuran-3a-methanol, 1,2,3,4a,7,8,8a,8b-octahydro-2-hydroxy-6,8a,8b-trimethyl-, (2R-(2alpha,3abeta,4abeta,8aalpha,8bbeta))-

Identifiers / External links

Structure

  • Smiles: CC1=CC2C(CC1)(C3(CC(CC3(O2)CO)O)C)C

  • Isomeric smiles: CC1=C[C@H]2[C@](CC1)([C@]3(C[C@H](C[C@]3(O2)CO)O)C)C

  • Inchi: InChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1

  • Inchikey: LRGJZQCUGTZKGE-FQKPHLNHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H24O3

  • Molecular weight: 252.35

  • Monoisotopic mass: 252.17254462

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