Compound Identification
SMILES
CCSC1CC(=O)C23[C@H]([C@H](CC4=CC=CC=C4)NC2=O)[C@H](C)C(=C)[C@@H](O)[C@@H]3\C=C\C[C@H](C)C(=O)[C@]1(C)O
InChIKey
InChIKey=TWZRUQVFSZZLMV-UZOPLTMISA-N
Formula
C30H39NO5S
Mass
525.7
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 Pyrrolidine-2-ones Benzene and substituted derivatives Acyloins Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols Lactams Cyclic ketones Cyclic alcohols and derivatives Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytochalasan - Carbocyclic cytochalasan skeleton - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Acyloin - Tertiary alcohol - Pyrrolidine - Cyclic alcohol - Cyclic ketone - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Ketone - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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