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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Cytochalasans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Cytochalasans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cytochalasans
Alternative Parents
Isoindolones Oxepanes Fatty acid esters Pyrrolidine-2-ones Benzene and substituted derivatives Tertiary alcohols Secondary carboxylic acid amides Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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