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Structure Information
Structure

Compound Identification

SMILES

C[C@@H](O)[C@@H]1OC[C@H](O)[C@@]2(C)O[C@@H]2C(=O)OCC23CCC4(C)O[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)C=CC=C1)[C@@]3(C)[C@]21CO1

InChIKey

InChIKey=DGBITFNXKQHKLI-VKIRTEEGSA-N

Formula

C29H38O11

Mass

562.612

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

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