Structure Information
Structure

Compound Identification

SMILES

CCCCCCCC(=O)O[C@@H]1\C=C\[C@](C)(O)C[C@@H](C)C\C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)NC(=O)[C@@]123

InChIKey

InChIKey=NVHSWMFKJNZKAA-IECTYLMQSA-N

Formula

C36H51NO5

Mass

577.806

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Cytochalasans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cytochalasans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Carbocyclic cytochalasan skeleton - Cytochalasan - Isoindolone - Isoindoline - Isoindole or derivatives - Fatty acid ester - Oxepane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrrolidone - 2-pyrrolidone - Tertiary alcohol - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cytochalasans. These are fungal metabolites structurally characterized by the presence of an isoindolone nucleus fused to a macrocyclic ring, which can either a lactone, as in cytochalasin B, a carbonate, as in cytochalasin E, or a carbocycle, as in cytochalasin D, H, and K.

External Descriptors

Not available

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