Logo Anses
Logo Interreg

3'-Hydroxy HT-2 toxin

  • Formula: C22H32O9

  • Molecular weight: 440.50

  • Smiles: CC1=CC2C(CC1OC(=O)CC(C)(C)O)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C

  • Type: Trichothecene

Download

3'-Hydroxy HT-2 toxin

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

Names

  • Mycotoxin name: 3'-Hydroxy HT-2 toxin

  • First synonym: None

  • Synonyms: 3'-Hydroxy HT-2 toxin,NAE258M59Q,78368-54-4,UNII-NAE258M59Q,3'-HYDROXY-TOXIN HT-2,TC3 toxin,Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-hydroxy-3-methylbutanoate), (3-alpha,4-beta,8-alpha)-,((1S,2R,4S,7R,9R,10R,11S,12S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4-yl) 3-hydroxy-3-methylbutanoate,[(1S,2R,4S,7R,9R,10R,11S,12S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-hydroxy-3-methylbutanoate,19-HO-HT-2 toxin,CHEMBL486001,TC 3,DTXSID501021333,Q27896356,TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 15-ACETATE 8-(3-HYDROXY-3-METHYLBUTANOATE), (3.ALPHA.,4.BETA.,8.ALPHA.)-

Identifiers / External links

Structure

  • Smiles: CC1=CC2C(CC1OC(=O)CC(C)(C)O)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C

  • Isomeric smiles: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)(C)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C

  • Inchi: InChI=1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3/t13-,14+,16+,17+,18+,20+,21+,22-/m0/s1

  • Inchikey: OJBCMLLFVXXDGS-QDSVCGCGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H32O9

  • Molecular weight: 440.50

  • Monoisotopic mass: 440.20463259

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