Compound: T-2 TOXIN
SMILES: O=C(O[C@@H]1C(=C[C@H]2O[C@H]3[C@@]4([C@@]([C@]2(C1)COC(=O)C)([C@H](OC(=O)C)[C@H]3O)C)OC4)C)CC(C)C
InChIKey: BXFOFFBJRFZBQZ-QYWOHJEZSA-N
Synonyms: T-2 TOXIN, 21259-20-1, T2 Toxin, T2-Trichothecene, Mycotoxin T-2, Isaritoxin, T-2 mycotoxin, Fusariotoxine T2, Fusariotoxin T-2, Toxin T2, Fusariotoxin T 2, I3FL5NM3MO, T 2 Toxin, CHEBI:9381, Toxin T 2, NSC-138780, 8-(3-Methylbutyryloxy)-diacetoxyscirpenol, 3-Hydroxy-4,15-diacetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-delta-9-trichothecene, Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-, Fusaritoxin, 8alpha-(3-Methylbutyryloxy)-4beta,15-diacetoxyscirp-9-en-3alpha-ol, 4,15-Diacetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-delta-9-trichothecen-3-ol, Trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-isovalerate, MYCOTOXIN T2, Toxin, T2, Toxin, T-2, ((1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-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)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate, RefChem:187038, 11'-(acetyloxy)-2'-((acetyloxy)methyl)-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.02,7)dodecan)-5'-en-4'-yl 3-methylbutanoate, 244-297-7, Fusariotoxin T2, T-2 Toxin 100 microg/mL in Acetonitrile, T 2 mycotoxin, T-2 Lienomycin, ZBA, MFCD00871255, Scirpenol, 8-(3-methylbutyryloxy)-diacetoxy-, 12,13-Trichothecene, T(sub 2)-Trichothecene, T2-TOXIN, UNII-I3FL5NM3MO, T-2 TOXIN [HSDB], T-2 TOXIN [MI], T-2 Toxin, reference material, CCRIS 3456, CHEMBL152423, SCHEMBL7536392, T2-TRICHOTHECENE [IARC], HSDB 3544, MSK7219, BXFOFFBJRFZBQZ-QYWOHJEZSA-N, EINECS 244-297-7, MSK7219-100A, T-2 Toxin, From Fusarium Tricinctum, T-2 Toxin, >=98.0% (TLC), BT162749, Insariotoxin; hothecene; fusariotoxin T-2, NS00000188, Fusariotoxin T 2; Insariotoxin; T-2 mycotoxin, G12810, T-2 Toxin Solution in Acetonitrile, 100ug/mL, Q63392226, 4,15-Diacetoxy-8-(3-methylbutyryloxy)scirp-9-en-3-ol, T-2 Toxin, from Fusarium sp., powder, >=98% (HPLC), (3?,4?,8?)-4,15-Diacetoxy-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate, 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutanoate), 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 4,15-diacetate 8-isovalerate, 12,13-Epoxytrichothec-9-ene-3alpha,4beta,8alpha,15-tetrol, 4,15-diacetate 8-isovalerate, 3-Hydroxy-4,15-diacetoxy-8-(3-methylbutyryloxy)-12,13-epoxy-delta(sup 9)-trichothecene, 4beta,15-Diacetoxy-3alpha-hydroxy-8alpha-(3-methylbutyryloxy)-12,13-epoxytrichothec-9-ene, (2alpha,3alpha,4beta,8alpha)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate, (3|A,4|A,8|A)-12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate), (3alpha,4beta,8alpha)-12,13-epoxy-4,15-diacetate 8-(3-methylbutanoate)trichothec-9-ene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate), 3alpha-Hydroxy-4beta-15-diacetoxy-8alpha-(3-methylbutyryloxy)-12,13-epoxy-delta9-tricothecene, 4-beta,15-Diacetoxy-8-alpha-(3-methylbutyryloxy)-3-alpha-hydroxy-12,13-epoxytrichothec-9-ene, 4.BETA.,15-DIACETOXY-8.ALPHA.-(3-METHYLBUTYRYLOXY)-12,13-EPOXYTRICHOTHEC-9-EN-3.ALPHA.-OL, 4beta,15-bis(acetyloxy)-3alpha-hydroxy-12,13-epoxytrichothec-9-en-8alpha-yl 3-methylbutanoate, Butanoic acid, 3-methyl-, (3.alpha.,4.beta.,8.alpha.,12.alpha.)-4,15-bis(acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-yl ester, Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-isovalerate
Theoretical properties:
molecular_formula: C24H34O9
molecular_weight: 466.5 g/mol
exact_mass: 466.22028266 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 9
heavy_atom_count: 33
topological_polar_surface_area: 121 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White needles from benzene & Skellysolve B; acetate deriv: amorphous solid from ether & pentane
color: White needles from benzene & Skellysolve B; acetate deriv: amorphous solid from ether & pentane
melting_point: 151-152 °C
solubility: Freely soluble in ethyl alcohol, ethyl acetate, chloroform, DMSO, and other organic solvents; slightly sol in petroleum ether; very slightly soluble in water.
Descriptions:
pubchem: T-2 toxin is a trichothecene mycotoxin produced by fungi of the genus Fusarium. It is a common contaminant in food and feedstuffs of cereal origin and is known to cause a range of toxic effects in humans and animals. It has a role as a mycotoxin, a neurotoxin, a cardiotoxic agent, a DNA synthesis inhibitor, an apoptosis inducer, a fungal metabolite and an environmental contaminant. It is an organic heterotetracyclic compound, an acetate ester and a trichothecene. It is functionally related to a HT-2 toxin.
chebi: A trichothecene mycotoxin produced by fungi of the genus <em>Fusarium </em>. It is a common contaminant in food and feedstuffs of cereal origin and is known to cause a range of toxic effects in humans and animals.
chembl: T-2 TOXIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: T-2 mycotoxin is a trichothecene mycotoxin.  It is a naturally occurring mold byproduct of Fusarium spp. fungus which is toxic to humans and other animals. The clinical condition it causes is alimentary toxic aleukia and a host of symptoms related to organs as diverse as the skin, airway, and stomach. Ingestion may come from consumption of moldy whole grains. T-2 can be absorbed through human skin. Although no significant systemic effects are expected after dermal contact in normal agricultural or residential environments, local skin effects can not be excluded. Hence, skin contact with T-2 should be avoided.