Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1NC(=O)[C@]23[C@H]1[C@H](C)[C@@]1(C)O[C@H]1[C@@H]2\C=C\C[C@H](C)[C@H]1O[C@@]1(C)[C@@H](CC3=O)N1C=NC2=C1N=CN=C2N

InChIKey

InChIKey=AYRYPPLNJZYZDV-GUJQKGPQSA-N

Formula

C27H34N6O4

Mass

506.607

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Cytochalasans

Subclass

Alachalasins

Intermediate Tree Nodes

Not available

Direct Parent

Alachalasins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Carbocyclic alachalasin skeleton - 6-aminopurine - Isoindolone - Isoindole or derivatives - Isoindoline - Purine - Imidazopyrimidine - Aminopyrimidine - Oxepane - N-substituted imidazole - Pyrimidine - Pyrrolidone - 2-pyrrolidone - Imidolactam - Imidazole - Heteroaromatic compound - Pyrrolidine - Azole - Lactam - Carboxamide group - Ketone - Amino acid or derivatives - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alachalasins. These are cytochalasans with a structure in which the hydrogenated isoindole bears a methyl group.

External Descriptors

Not available

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