Compound Identification
SMILES
CC(O)[C@H](O)\C=C\C=C\C(=O)OC1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)C21CO1
InChIKey
InChIKey=QFKRKMXPKBHGGO-XLHGJGPCSA-N
Formula
C23H32O7
Mass
420.502
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Sesquiterpenoids
- Level 5 Trichothecenes
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Subclass
Sesquiterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Trichothecenes
Alternative Parents
Fatty alcohols Oxepanes Fatty acid esters Oxanes Enoate esters Secondary alcohols 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Trichothecene skeleton - Fatty alcohol - Fatty acid ester - Oxepane - Oxane - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Oxirane - Ether - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Aliphatic heteropolycyclic compound
Description
This compound 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.
External Descriptors
Not available