Compound Identification
SMILES
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@@]33CO3)[C@@]2(COC(=O)CCl)CC1
InChIKey
InChIKey=LWEXKWITLRINLA-WPIMETDJSA-N
Formula
C19H24Cl2O7
Mass
435.29
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
-
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
Iridoids and derivatives Oxepanes Oxanes Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Trichothecene skeleton - Secoiridoid-skeleton - Monoterpenoid - Oxepane - Oxane - Dicarboxylic acid or derivatives - Cyclic alcohol - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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