Compound Identification
SMILES
C[C@H]1[C@H]2[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](CO)C[C@H](C)\C=C\[C@H]2OC(C)=O)[C@H](O)C1=C
InChIKey
InChIKey=JDBLMXRWROHNEX-LLXXQQOXSA-N
Formula
C30H39NO6
Mass
509.643
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 Isoindoles 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Pyrrolidine-2-ones Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Lactams Azacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbocyclic cytochalasan skeleton - Cytochalasan - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Pyrrolidine - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Lactam - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - 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