Showing chemical card for 3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid (CFc000157142)
3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. Based on a literature review very few articles have been published on 3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid.
MOL for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
3D MOL for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
3D SDF for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
3D-SDF for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
PDB for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
3D PDB for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
SMILES for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
INCHI for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
Structure for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
3D Structure for CFc000157142 (3,4,5-trihydroxy-6-{4'-[(3-hydroxy-3-methylbutanoyl)oxy]-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-oloxy}oxane-2-carboxylic acid)
Belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.
