Logo Anses
Logo Interreg

Helminthosporol

  • Formula: C15H24O2

  • Molecular weight: 236.35

  • Smiles: CC1=C(C2C(CCC1(C2CO)C)C(C)C)C=O

Download

Helminthosporol

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

Names

  • Mycotoxin name: Helminthosporol

  • First synonym: Helminthosporol

  • Synonyms: Helminthosporol,1619-29-0,UNII-7X0G04WG66,7X0G04WG66,(1r,4r,5s,8s)-8-(hydroxymethyl)-4-isopropyl-1,7-dimethylbicyclo[3.2.1]oct-6-ene-6-carbaldehyde,SCHEMBL3856588,Bicyclo(3.2.1)oct-6-ene-6-carboxaldehyde, 8-(hydroxymethyl)-4-isopropyl-1,7-dimethyl-,(1R,4R,5S,8S)-8-(hydroxymethyl)-1,7-dimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-ene-6-carbaldehyde,(1S,2R,5R,8S)-2-Isopropyl-5,6-dimethyl-8-(hydroxymethyl)bicyclo[3.2.1]octa-6-ene-7-carbaldehyde,Bicyclo(3.2.1)oct-6-ene-6-carboxaldehyde, 8-(hydroxymethyl)-1,7-dimethyl-4-(1-methylethyl)-, (1R,4R,5S,8S)-

Identifiers / External links

Structure

  • Smiles: CC1=C(C2C(CCC1(C2CO)C)C(C)C)C=O

  • Isomeric smiles: CC1=C([C@H]2[C@H](CC[C@@]1([C@H]2CO)C)C(C)C)C=O

  • Inchi: InChI=1S/C15H24O2/c1-9(2)11-5-6-15(4)10(3)12(7-16)14(11)13(15)8-17/h7,9,11,13-14,17H,5-6,8H2,1-4H3/t11-,13+,14-,15+/m1/s1

  • Inchikey: JNDNSKMAFGPBFU-BEAPCOKYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H24O2

  • Molecular weight: 236.35

  • Monoisotopic mass: 236.177630004

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