Structure Information
Structure

Compound Identification

SMILES

C\C(CCO)=C/C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C[C@@H](O)[C@@]2(C)[C@]11CO1

InChIKey

InChIKey=PZTXWUDHQJHJOJ-LJQLBOGDSA-N

Formula

C21H30O6

Mass

378.465

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Trichothecenes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Trichothecene skeleton - Fatty acid ester - Oxepane - Oxane - Fatty acyl - Cyclic alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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

Previous Back Next