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toxin ht 2

  • Formula: C22H32O8

  • Molecular weight: 424.50

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

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toxin ht 2

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

Names

  • Mycotoxin name: toxin ht 2

  • First synonym: None

  • Synonyms: HT-2 Toxin,Mycotoxin HT 2,26934-87-2,Toxin HT 2,HT 2 Toxin,NC6C26RM46,UNII-NC6C26RM46,[(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-methylbutanoate,CHEBI:138861,DTXSID60891810,NSC 278571,12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 15-acetate 8-isovalerate,HT-2,NSC-278571,15-(acetyloxy)-3alpha,4beta-dihydroxy-12,13-epoxytrichothec-9-en-8alpha-yl 3-methylbutanoate,15-Acetoxy-3,4-dihydroxy-8-(3-methylbutyryloxy)-12,13-epoxy delta9-trichothecene,Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 15-acetate, 8-isovalerate,Trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate,Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15 acetate 8-(3-methylbutanoate), (3alpha,4abeta,8alpha)-,Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-,HT 2,Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3.alpha.,4.beta.,8.alpha.)-,mycotoxin HT-2,3,4-dihydroxy-15-acetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-delta9-trichothecene,((1S,2R,4S,7R,9R,10R,11S,12R)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4-yl) 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-methylbutanoate,(1'R,2R,2'S,4'R,7'S,9'S,10'R,11'S)-2'-((acetyloxy)methyl)-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.0(2,7))dodecan)-5'-en-4'-yl 3-methylbutanoate,(1'R,2R,2'S,4'R,7'S,9'S,10'R,11'S)-2'-[(acetyloxy)methyl]-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0{2,7}]dodecan]-5'-en-4'-yl 3-methylbutanoate,[(1S,2R,4S,7R,9R,10R,11S,12R)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate,2'-((acetyloxy)methyl)-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.02,7)dodecan)-5'-en-4'-yl 3-methylbutanoate,2'-[(acetyloxy)methyl]-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-4'-yl 3-methylbutanoate,Trichothec-9-ene-3.alpha.,4.beta.,8.alpha.,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate,CHEMBL440357,PNKLMTPXERFKEN-MLXHEQMXSA-N,DTXCID401031048,12,13-Epoxytrichothec-9-ene-3-.alpha.,4-.beta.,8-.alpha.,15-tetrol 15-acetate 8-isovalerate,HY-N6729,1ST7237,HT-2 Toxin in Acetonitrile, 100ug/mL,NCGC00380750-01,12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-,1ST7237-100A,AS-78686,BH162733,CS-0099767,G16868,Q27896911,15-acetoxy-3,4-dihydroxy-8-(3-methylbutyryloxy)-12,13-epoxy delta 9-trichothecene,3,4-DIHYDROXY-15-ACETOXY-8-(3-METHYLBUTYRYLOXY)-12,13-EPOXY-.DELTA.9-TRICHOTHECENE,Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15 acetate 8-(3-methylbutanoate), (3alpha,4abeta,8alpha)-(9CI),Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-(9CI),Trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate (8CI)

Identifiers / External links

Structure

  • Smiles: CC1=CC2C(CC1OC(=O)CC(C)C)(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)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C

  • Inchi: InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1

  • Inchikey: PNKLMTPXERFKEN-MLXHEQMXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H32O8

  • Molecular weight: 424.50

  • Monoisotopic mass: 424.20971797

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Fungi

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